Molecular metrics status: queued
Pose metrics recompute is queued in the background.
Metrics cached · SASA missing
py3Dmol interaction viewer
Left: interactive complex viewer. Right: clickable PLIP-like interaction summary. Clicking an interaction thickens and highlights it in the 3D view.
Overall: Promising but geometrically suspicious
Binding evidence: strong
Native-like contacts: strong
Ligand efficiency: weak
Geometry reliability: low
Reason: geometry warning, clashes
Interaction summary
Collapsible panels
H-bonds 6
Hydrophobic 5
π–π 0
Clashes 10
Severe clashes 2
⚠ Hydrophobic exposure 66%
Solvent-exposed hydrophobic surface — desolvation penalty likely
67% of hydrophobic surface is solvent-exposed (14/21 atoms). Large non-polar area without protein contacts incurs a desolvation penalty and will reduce binding affinity. Consider truncating or replacing the exposed fragment.
Non-polar atoms 21
Buried (contacted) 7
Exposed 14
LogP 3.31
H-bonds 6
Exposed fragments:
phenyl (6/6 atoms exposed)phenyl (6/6 atoms exposed)aliphatic chain/group (2 atoms exposed)
| Final rank | 8.456870302893202 | Score | -14.8947 |
|---|---|---|---|
| Inter norm | -0.746612 | Intra norm | 0.214657 |
| Top1000 | no | Excluded | yes |
| Contacts | 12 | H-bonds | 6 |
| Artifact reason | excluded; geometry warning; 14 clashes; 2 protein clashes; high strain Δ 22.7 | ||
| Residues | A:ALA334;A:ARG242;A:ARG337;A:ASP243;A:ASP385;A:GLU384;A:LEU339;A:MET386;A:PHE383;A:THR241;A:VAL335;A:VAL336 | ||
Protein summary
398 residues
| Protein target | T14 | Atoms | 6140 |
|---|---|---|---|
| Residues | 398 | Chains | 1 |
| Residue summary | VAL:592; LEU:513; LYS:484; ARG:432; PHE:420; ILE:418; ASP:349; THR:322; TYR:315; PRO:308; GLU:301; ALA:290; SER:253; GLY:217; ASN:210; GLN:170 | ||
Native ligand reference
★ reference
Interaction fingerprint calculated directly from the uploaded native ligand without docking. Current H-bond mode: strict.
| Name | 1NJJ | Contacts | 15 |
|---|---|---|---|
| Pose | Open native pose | H-bonds | 7 |
| IFP residues | A:ARG22; A:ARG242; A:ARG337; A:ARG342; A:ASP243; A:ASP385; A:GLN341; A:GLU384; A:LEU25; A:LEU339; A:LEU382; A:PRO340; A:PRO344; A:SER282; A:THR241 | ||
| Current overlap | 7 | Native recall | 0.47 |
| Jaccard | 0.35 | RMSD | - |
| H-bond strict | 2 | Strict recall | 0.33 |
| H-bond same residue+role | 3 | Role recall | 0.60 |
| H-bond same residue | 3 | Residue recall | 0.60 |
Hydrogen bonds
Mode: strict. Count shows atom-level H-bonds; unique residues in summary: 0.
π–π interactions
No π–π interactions detected for this pose.
Hydrophobic contacts
Clashes
All stored poses for this docking hit
| Pose | Final rank | Inter norm | Score | HB | Contacts | Native overlap | Native recall | HB role recall | RMSD | Excluded | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 2036 | 3.8692691142284943 | -0.823071 | -11.6316 | 6 | 12 | 0 | 0.00 | 0.00 | - | no | Open |
| 2947 | 4.093339395194455 | -0.905724 | -23.241 | 6 | 17 | 0 | 0.00 | 0.00 | - | no | Open |
| 1893 | 4.23046768750275 | -0.945402 | -19.2185 | 6 | 15 | 0 | 0.00 | 0.00 | - | no | Open |
| 1908 | 4.232400852877754 | -1.06455 | -23.0324 | 7 | 14 | 0 | 0.00 | 0.00 | - | no | Open |
| 1655 | 4.276712845987804 | -0.843928 | -16.0718 | 3 | 14 | 0 | 0.00 | 0.00 | - | no | Open |
| 1652 | 4.434908628236278 | -0.645243 | -9.97714 | 1 | 12 | 0 | 0.00 | 0.00 | - | no | Open |
| 1645 | 4.779766089798518 | -0.644266 | -18.6381 | 3 | 10 | 0 | 0.00 | 0.00 | - | no | Open |
| 2474 | 4.8551727760045935 | -0.570948 | -10.0396 | 5 | 12 | 0 | 0.00 | 0.00 | - | no | Open |
| 1648 | 4.899742217898031 | -0.796648 | -19.62 | 5 | 15 | 0 | 0.00 | 0.00 | - | no | Open |
| 1654 | 4.983643393950298 | -0.65532 | -9.87363 | 2 | 14 | 0 | 0.00 | 0.00 | - | no | Open |
| 2390 | 5.006764732076381 | -0.720019 | -15.6942 | 4 | 17 | 9 | 0.60 | 0.40 | - | no | Open |
| 2339 | 5.068732209739351 | -0.729751 | -16.943 | 4 | 16 | 0 | 0.00 | 0.00 | - | no | Open |
| 1640 | 5.077154311887423 | -0.848483 | -19.0382 | 6 | 16 | 0 | 0.00 | 0.00 | - | no | Open |
| 1910 | 5.202930037459667 | -1.02179 | -25.7878 | 7 | 17 | 0 | 0.00 | 0.00 | - | no | Open |
| 1896 | 5.219259759421158 | -1.08814 | -27.8209 | 6 | 17 | 0 | 0.00 | 0.00 | - | no | Open |
| 1647 | 5.424496164445828 | -0.824872 | -17.3009 | 7 | 16 | 0 | 0.00 | 0.00 | - | no | Open |
| 2484 | 5.4549194088185 | -0.649049 | -15.5994 | 8 | 12 | 0 | 0.00 | 0.00 | - | no | Open |
| 2486 | 5.552503005622522 | -0.601988 | -8.25438 | 8 | 12 | 0 | 0.00 | 0.00 | - | no | Open |
| 2352 | 5.554937323021108 | -0.672065 | -14.1457 | 4 | 15 | 0 | 0.00 | 0.00 | - | no | Open |
| 2346 | 5.571773007461218 | -0.770012 | -20.1201 | 6 | 13 | 0 | 0.00 | 0.00 | - | no | Open |
| 2935 | 5.604233169594168 | -0.811465 | -14.9283 | 6 | 19 | 0 | 0.00 | 0.00 | - | no | Open |
| 2357 | 5.623067865830576 | -0.716883 | -13.1704 | 5 | 14 | 0 | 0.00 | 0.00 | - | no | Open |
| 1901 | 5.657046821595721 | -1.08227 | -22.6606 | 6 | 14 | 0 | 0.00 | 0.00 | - | no | Open |
| 2490 | 5.749126780744798 | -0.786086 | -17.0873 | 8 | 12 | 0 | 0.00 | 0.00 | - | no | Open |
| 1641 | 5.864296722606052 | -0.727277 | -10.6328 | 3 | 14 | 0 | 0.00 | 0.00 | - | no | Open |
| 2085 | 5.9279158345073695 | -0.922627 | -14.4989 | 9 | 16 | 0 | 0.00 | 0.00 | - | no | Open |
| 2482 | 6.051388490750228 | -0.51522 | -9.65692 | 8 | 13 | 0 | 0.00 | 0.00 | - | no | Open |
| 1543 | 6.4440541477279085 | -0.957481 | -16.3487 | 3 | 21 | 0 | 0.00 | 0.00 | - | no | Open |
| 2034 | 7.077491575951277 | -0.797468 | -25.6212 | 6 | 17 | 0 | 0.00 | 0.00 | - | no | Open |
| 2391 | 7.22402321275159 | -0.753244 | -17.2307 | 9 | 14 | 7 | 0.47 | 0.20 | - | no | Open |
| 1550 | 7.315233416282742 | -0.724866 | -12.07 | 2 | 17 | 0 | 0.00 | 0.00 | - | no | Open |
| 2491 | 7.481357372293914 | -0.66382 | -12.0013 | 7 | 10 | 0 | 0.00 | 0.00 | - | no | Open |
| 1649 | 5.4380583582540725 | -0.6639 | -14.7487 | 3 | 10 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2493 | 5.512472262625311 | -0.690272 | -16.3014 | 5 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2475 | 5.799149748751647 | -0.770459 | -20.2787 | 9 | 10 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2040 | 5.872895953722337 | -0.796943 | -14.1071 | 6 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2382 | 5.907358560302678 | -0.764559 | -12.5942 | 4 | 16 | 9 | 0.60 | 0.40 | - | yes | Open |
| 2938 | 5.9541395335046765 | -0.847495 | -18.0016 | 5 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2351 | 5.964928785078499 | -0.598307 | -13.6126 | 6 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1657 | 6.087450958655901 | -0.615409 | -13.7193 | 5 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2089 | 6.306198965630003 | -0.887935 | -21.0023 | 8 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2478 | 6.369703100292172 | -0.601073 | -15.4444 | 7 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2349 | 6.574500037295459 | -0.547293 | -11.3978 | 2 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2353 | 6.590842870982476 | -0.614428 | -14.5971 | 3 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2483 | 6.611997797948779 | -0.692653 | -11.4245 | 8 | 8 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2101 | 6.6471498983466955 | -0.811128 | -15.9488 | 8 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2043 | 6.649532798011135 | -0.882774 | -23.0621 | 6 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2045 | 6.6583782262775575 | -0.961752 | -23.9018 | 7 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2393 | 6.6758779988533306 | -0.696216 | -14.3314 | 6 | 16 | 9 | 0.60 | 0.20 | - | yes | Open |
| 1646 | 6.710376134906771 | -0.664142 | -23.4056 | 2 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2345 | 6.7846387855818815 | -0.588672 | -21.0318 | 3 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2041 | 6.8273490992740795 | -0.97353 | -21.5176 | 5 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2358 | 6.828869703731905 | -0.80919 | -18.7578 | 3 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2480 | 6.832275790032909 | -0.461894 | -17.6515 | 3 | 10 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1658 | 6.845687211984289 | -0.779761 | -20.281 | 6 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1643 | 6.850178762774333 | -0.840732 | -22.7498 | 6 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2488 | 6.895212640379583 | -0.57566 | -13.8396 | 7 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2355 | 6.896909071873221 | -0.80827 | -14.7156 | 7 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2489 | 6.96591340790756 | -0.715284 | -19.9786 | 6 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2340 | 6.987610125829334 | -0.932671 | -18.9574 | 7 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2046 | 7.014264715078811 | -0.718368 | -15.4832 | 7 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2479 | 7.083838037908399 | -0.694604 | -20.9068 | 9 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1539 | 7.09629516824432 | -0.92585 | -25.1311 | 4 | 21 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1642 | 7.125411147839585 | -0.687052 | -8.97637 | 2 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2028 | 7.127863769903232 | -0.806932 | -20.2779 | 7 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1546 | 7.150494948057962 | -0.731459 | -16.1937 | 5 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2094 | 7.230119505275137 | -0.838548 | -22.2537 | 5 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2941 | 7.233270354631881 | -0.904873 | -23.8921 | 3 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2342 | 7.248921283464627 | -0.73185 | -16.1433 | 2 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2384 | 7.251386503559452 | -0.597832 | -12.1148 | 8 | 18 | 11 | 0.73 | 0.60 | - | yes | Open |
| 2038 | 7.269407508543413 | -0.79035 | -19.8 | 6 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1906 | 7.306753829926894 | -1.07201 | -28.7743 | 6 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2035 | 7.313559939926313 | -0.763025 | -24.8593 | 5 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2102 | 7.327452517270887 | -0.841399 | -15.535 | 8 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1554 | 7.377791016640935 | -0.803571 | -20.716 | 6 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1651 | 7.435191747663986 | -0.665124 | -9.00147 | 4 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2029 | 7.557768508153929 | -1.0118 | -24.9403 | 5 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2380 | 7.57562642169557 | -0.655933 | -21.9422 | 6 | 13 | 6 | 0.40 | 0.20 | - | yes | Open |
| 2031 | 7.680391071055717 | -0.875517 | -24.4916 | 3 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2946 | 7.726572917148909 | -0.980875 | -25.1318 | 7 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2086 | 7.780509311855243 | -0.868933 | -21.8384 | 7 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2943 | 7.79452202197797 | -0.756923 | -15.8039 | 6 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2047 | 7.8260906059250495 | -0.944663 | -20.1411 | 6 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2950 | 7.899810237917876 | -0.999421 | -20.4213 | 6 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2939 | 7.925552289031179 | -0.84361 | -18.3409 | 4 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1904 | 7.976099968004059 | -0.990963 | -25.5048 | 4 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2949 | 8.001881059609513 | -0.894664 | -23.1936 | 4 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2039 | 8.033626995587824 | -0.9035 | -23.4918 | 6 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2093 | 8.078890546932902 | -0.851886 | -18.7596 | 7 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2477 | 8.171054812540484 | -0.64248 | -12.2736 | 6 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2033 | 8.18586633598892 | -0.958744 | -27.3183 | 5 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2348 | 8.281486249880292 | -0.872301 | -17.8587 | 7 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2386 | 8.303510139265892 | -0.855366 | -12.2537 | 5 | 16 | 9 | 0.60 | 0.40 | - | yes | Open |
| 2092 | 8.319782041806416 | -0.907622 | -18.5018 | 9 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2343 | 8.338619684667822 | -0.891126 | -20.5936 | 7 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2091 | 8.356750784119564 | -1.0017 | -26.7851 | 5 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2099 | 8.431692070816718 | -0.875487 | -19.2193 | 8 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2942 | 8.440865121563984 | -0.896234 | -20.5029 | 7 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2095 | 8.442964014334974 | -0.879288 | -21.3056 | 8 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2383 | 8.456870302893202 | -0.746612 | -14.8947 | 6 | 12 | 7 | 0.47 | 0.60 | - | yes | Current |
| 2387 | 8.478016166024066 | -0.68143 | -14.199 | 6 | 12 | 7 | 0.47 | 0.60 | - | yes | Open |
| 1912 | 8.50716925136812 | -1.02938 | -23.3147 | 5 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1545 | 8.577446685596607 | -0.717557 | -9.97712 | 5 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1900 | 8.615016234422919 | -1.2438 | -41.7041 | 5 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2087 | 8.651064945592655 | -0.993042 | -20.5342 | 8 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2098 | 8.656213208070655 | -0.856192 | -17.7013 | 6 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2103 | 8.729525090482118 | -0.956028 | -22.1596 | 8 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2376 | 8.729564558429724 | -0.742172 | -15.7395 | 6 | 18 | 8 | 0.53 | 0.20 | - | yes | Open |
| 2377 | 8.85027774787086 | -0.771559 | -11.4837 | 6 | 17 | 8 | 0.53 | 0.20 | - | yes | Open |
| 2936 | 8.900687861376861 | -1.03708 | -24.6273 | 8 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2945 | 9.035255182461086 | -0.855865 | -20.2334 | 4 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2347 | 9.133692249748073 | -0.736734 | -11.702 | 3 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1894 | 9.141143199621737 | -1.20241 | -25.323 | 11 | 21 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2375 | 9.274182751644492 | -0.777142 | -19.0693 | 6 | 12 | 8 | 0.53 | 0.40 | - | yes | Open |
| 2097 | 9.299349145540633 | -0.82638 | -14.0742 | 13 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2379 | 9.345174707550758 | -0.819022 | -26.684 | 7 | 16 | 9 | 0.60 | 0.00 | - | yes | Open |
| 1536 | 9.434161860363877 | -0.729618 | -17.318 | 4 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1552 | 9.662880581987986 | -0.732356 | -13.4197 | 5 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1549 | 9.805255265778381 | -0.685391 | -9.61 | 5 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1553 | 10.17546333714549 | -0.761715 | -15.2899 | 5 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1548 | 10.352387495496991 | -0.774482 | -10.2737 | 4 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1535 | 10.430450169786969 | -0.919939 | -18.6535 | 3 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1902 | 10.758324578772944 | -0.963238 | -19.7169 | 7 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1542 | 11.059044038377488 | -0.848421 | -20.2021 | 5 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1538 | 11.231134446829165 | -0.776279 | -11.9366 | 5 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1541 | 11.721579087872216 | -0.740305 | -10.9363 | 3 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1905 | 11.80172698358823 | -0.982203 | -20.8961 | 3 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2378 | 12.005575326610018 | -0.846302 | -20.7224 | 7 | 12 | 8 | 0.53 | 0.20 | - | yes | Open |
| 2388 | 12.126696662064607 | -0.724747 | -18.3974 | 8 | 17 | 10 | 0.67 | 0.60 | - | yes | Open |
| 1909 | 13.370481919440962 | -0.99806 | -17.1224 | 3 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1898 | 16.506764602120914 | -1.09536 | -25.6393 | 7 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1899 | 16.887505503354454 | -1.18304 | -26.8738 | 6 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2492 | 55.70446368563951 | -0.595349 | -13.7302 | 10 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1644 | 55.93574796332508 | -0.644531 | -11.2102 | 6 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2356 | 56.34966889941547 | -0.793191 | -17.505 | 6 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2485 | 56.41249823173393 | -0.578265 | -16.2937 | 6 | 10 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1653 | 56.43406510204832 | -0.659789 | -12.276 | 5 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2392 | 56.57013993466078 | -0.636525 | -13.2986 | 4 | 18 | 9 | 0.60 | 0.40 | - | yes | Open |
| 1650 | 56.62410924242474 | -0.732763 | -21.8815 | 6 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2481 | 56.6889479044066 | -0.715899 | -24.985 | 8 | 11 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2354 | 56.79991704042692 | -0.718971 | -21.0775 | 5 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2344 | 56.9333783572381 | -0.766151 | -22.7709 | 4 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2090 | 57.23786200414544 | -0.888915 | -27.51 | 11 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2032 | 57.29853998139417 | -0.729658 | -21.9179 | 2 | 16 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2487 | 57.4288017092251 | -0.624264 | -11.0401 | 8 | 10 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1639 | 57.77934946718902 | -0.880881 | -15.3644 | 6 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2037 | 57.84362197947805 | -0.880816 | -20.9478 | 5 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2948 | 58.03551686044381 | -0.912845 | -17.2622 | 4 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2350 | 58.18855651983029 | -0.716344 | -19.3815 | 3 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2940 | 58.40155946045435 | -0.842602 | -20.3239 | 7 | 13 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1656 | 58.4275492279687 | -0.776908 | -11.8481 | 6 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2476 | 58.43759116469451 | -0.53676 | -14.5352 | 7 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2341 | 58.47986874874193 | -0.587463 | -12.1438 | 3 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2044 | 59.19624709862783 | -0.832617 | -18.1991 | 9 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2944 | 59.26234052476221 | -0.95333 | -21.3313 | 7 | 12 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2937 | 59.27642857179751 | -0.787707 | -19.4123 | 5 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1544 | 59.448419690916744 | -0.764111 | -17.9147 | 4 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1551 | 59.538775219646304 | -0.788013 | -19.1706 | 4 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1895 | 59.80147233206212 | -1.16166 | -17.4978 | 5 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2374 | 59.820335449214845 | -0.741719 | -15.5589 | 6 | 15 | 9 | 0.60 | 0.20 | - | yes | Open |
| 2030 | 59.95572188551775 | -0.838836 | -19.0826 | 4 | 17 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1540 | 60.04542609495461 | -0.749467 | -10.185 | 4 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2088 | 60.04693344542002 | -1.11086 | -28.1942 | 10 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1547 | 60.050970498488915 | -0.828241 | -15.5476 | 3 | 21 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2096 | 60.07502524223713 | -1.09532 | -29.0703 | 9 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2042 | 60.67279269316435 | -0.747376 | -14.9701 | 7 | 14 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2385 | 60.72068833506443 | -0.908371 | -24.9407 | 7 | 11 | 7 | 0.47 | 0.40 | - | yes | Open |
| 1537 | 61.20334201844964 | -0.594133 | -11.445 | 3 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2100 | 61.79351552266141 | -0.932957 | -26.711 | 10 | 18 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2389 | 61.91184275869992 | -0.915632 | -27.5317 | 10 | 11 | 7 | 0.47 | 0.40 | - | yes | Open |
| 1903 | 62.056781206313566 | -1.08048 | -20.6596 | 7 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2104 | 62.182324059360695 | -0.92152 | -22.0129 | 10 | 15 | 0 | 0.00 | 0.00 | - | yes | Open |
| 2381 | 62.31768583047881 | -0.916012 | -30.1185 | 8 | 12 | 8 | 0.53 | 0.40 | - | yes | Open |
| 1911 | 63.1035077982618 | -1.0885 | -19.8638 | 6 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1907 | 65.93695222330598 | -1.15252 | -23.0755 | 7 | 20 | 0 | 0.00 | 0.00 | - | yes | Open |
| 1897 | 68.5155572339219 | -1.04334 | -29.3547 | 13 | 19 | 0 | 0.00 | 0.00 | - | yes | Open |
Molecular metrics
FreeSASA-based burial, strain energy (MMFF94s), ligand efficiency and fit quality for this docking pose.
Molecular metrics have not been computed for this pose yet. This page now reads only cached values; use a background recompute when you want fresh metrics without slowing the UI.