| ID | Target | Experiment | Atoms | Residues | Chains | Native ligand | Native IFP | Actions |
|---|---|---|---|---|---|---|---|---|
| 1 | T02 receptor_for_pose_view.pdb |
T02 Report dockmulti_91311c650f2e_T02 |
3128 | 200 LYS:374; LEU:361; GLU:240; VAL:224; ARG:192; PHE:180; ILE:171; PRO:168; ASN:140; SER:132; TYR:126; GLN:119; ASP:108; MET:102; THR:98; GLY:91 |
2 | ★ Native ligand Compound 458 |
21 contacts · 5 H-bonds A:ALA10;A:ASN65;A:ASP22;A:GLN36;A:GLU31;A:GLY117;A:GLY21;A:ILE61;A:ILE8;A:LEU23;A:LEU68;A:NAP201;A:PHE32;A:PHE35;A:PRO62;A:SER60;A:THR137;A:THR57;A:TYR122;A:VAL116;A:VAL9 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T02/receptor_for_pose_view.pdb |
| 2 | T03 receptor_for_pose_view.pdb |
T03 Report dockmulti_91311c650f2e_T03 |
3428 | 225 LEU:380; ARG:360; VAL:272; LYS:264; ALA:240; GLU:240; PRO:224; PHE:180; THR:154; ILE:152; SER:132; TYR:126; GLN:119; ASN:98; GLY:84; NDP:74 |
2 | ★ Native ligand Compound 754 |
20 contacts · 9 H-bonds A:ALA32;A:ARG97;A:ASP52;A:ILE45;A:LEU94;A:LYS57;A:MET53;A:NDP301;A:PHE56;A:PHE91;A:PRO88;A:SER86;A:THR180;A:THR54;A:THR83;A:TYR162;A:VAL156;A:VAL30;A:VAL31;A:VAL87 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T03/receptor_for_pose_view.pdb |
| 3 | T04 receptor_for_pose_view.pdb |
T04 Report dockmulti_91311c650f2e_T04 |
4210 | 308 LEU:494; ALA:421; ARG:384; VAL:368; THR:295; TYR:231; SER:198; PRO:196; ILE:190; LYS:176; ASN:154; GLU:150; GLY:126; PHE:120; HIS:119; ASP:108 |
3 | ★ Native ligand Compound 1034 |
19 contacts · 8 H-bonds A:ARG17;A:ASP181;A:GLY225;A:HIS241;A:LEU188;A:LEU226;A:LEU229;A:LYS198;A:MET233;A:NDP302;A:PHE113;A:PRO115;A:SER111;A:SER112;A:SER227;A:TYR191;A:TYR194;A:VAL230;D:ARG287 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T04/receptor_for_pose_view.pdb |
| 4 | T06 receptor_for_pose_view.pdb |
T06 Report dockmulti_91311c650f2e_T06 |
3452 | 223 ARG:408; VAL:352; LYS:308; LEU:304; PRO:238; ILE:209; GLU:195; THR:182; SER:176; ALA:160; PHE:140; ASN:126; GLY:126; ASP:108; GLN:85; NDP:74 |
1 | ★ Native ligand Compound 1279 |
21 contacts · 6 H-bonds A:ALA34;A:ASP54;A:HIS182;A:ILE160;A:ILE47;A:LEU90;A:LEU97;A:MET55;A:NDP301;A:PHE233;A:PHE58;A:PHE94;A:PRO91;A:SER89;A:THR184;A:THR86;A:TRP49;A:TYR166;A:TYR57;A:VAL32;A:VAL33 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T06/receptor_for_pose_view.pdb |
| 5 | T07 receptor_for_pose_view.pdb |
T07 Report dockmulti_91311c650f2e_T07 |
3932 | 275 LEU:437; VAL:433; ALA:361; ARG:288; ILE:266; GLU:210; LYS:198; SER:198; ASN:182; THR:154; GLN:153; PHE:140; PRO:140; TYR:126; GLY:112; HIS:103 |
3 | ★ Native ligand Compound 657 |
19 contacts · 6 H-bonds A:ARG14;A:ASP161;A:CYS168;A:GLY205;A:LEU208;A:LEU209;A:LYS178;A:MET213;A:NAP301;A:PHE171;A:PHE97;A:PRO210;A:PRO99;A:SER207;A:SER95;A:TRP221;A:TYR174;A:TYR98;A:VAL206 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T07/receptor_for_pose_view.pdb |
| 6 | T08 receptor_for_pose_view.pdb |
T08 Report dockmulti_91311c650f2e_T08 |
3881 | 258 LEU:437; VAL:433; ALA:361; ARG:288; ILE:266; GLU:210; LYS:198; SER:198; ASN:182; THR:154; GLN:153; PHE:140; PRO:140; TYR:126; GLY:112; HIS:103 |
2 | ★ Native ligand Compound 657 |
19 contacts · 6 H-bonds A:ARG14;A:ASP161;A:CYS168;A:GLY205;A:LEU208;A:LEU209;A:LYS178;A:MET213;A:NAP301;A:PHE171;A:PHE97;A:PRO210;A:PRO99;A:SER207;A:SER95;A:TRP221;A:TYR174;A:TYR98;A:VAL206 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T08/receptor_for_pose_view.pdb |
| 7 | T09 receptor_for_pose_view.pdb |
T09 Report dockmulti_91311c650f2e_T09 |
8170 | 511 LEU:1064; ARG:840; LYS:572; GLU:570; VAL:528; PHE:460; ILE:456; ALA:440; PRO:420; THR:406; TYR:357; ASP:312; GLN:289; ASN:238; SER:231; GLY:224 |
2 | ★ Native ligand Compound 2001 |
21 contacts · 9 H-bonds A:NDP301;B:ALA32;B:ARG97;B:ASP52;B:GLY157;B:ILE45;B:LEU94;B:LYS57;B:MET53;B:PHE55;B:PHE56;B:PHE91;B:PRO88;B:SER86;B:THR180;B:THR83;B:TYR162;B:VAL156;B:VAL30;B:VAL31;B:VAL87 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T09/receptor_for_pose_view.pdb |
| 8 | T10 receptor_for_pose_view.pdb |
T10 Report dockmulti_91311c650f2e_T10 |
4590 | 155 ILE:494; ARG:384; ALA:360; VAL:352; LEU:304; GLU:300; THR:280; MET:272; LYS:220; ASP:216; TYR:210; HIS:204; GLY:182; SER:176; GLN:170; ASN:140 |
1 | ★ Native ligand Compound 2077 |
17 contacts · 16 H-bonds A:ALA15;A:ARG116;A:ARG140;A:ARG144;A:ASN106;A:ASP13;A:CYS72;A:GLY73;A:GLY75;A:GLY77;A:HIS105;A:HIS14;A:HIS141;A:ILE76;A:LEU101;A:THR74;A:TYR49 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T10/receptor_for_pose_view.pdb |
| 9 | T11 receptor_for_pose_view.pdb |
T11 Report dockmulti_91311c650f2e_T11 |
4391 | 287 LEU:627; ARG:432; VAL:384; GLU:316; PHE:300; ILE:285; ALA:260; PRO:238; HIS:187; ASP:157; LYS:154; SER:154; THR:154; GLY:147; ASN:140; TYR:126 |
1 | ★ Native ligand Compound 2269 |
18 contacts · 5 H-bonds A:ASN193;A:GLN220;A:GLU192;A:GLY191;A:HIS144;A:HIS222;A:ILE126;A:LEU194;A:LEU226;A:PHE189;A:PHE190;A:PHE199;A:PHE74;A:PRO223;A:THR71;A:VAL187;A:VAL188;A:VAL221 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T11/receptor_for_pose_view.pdb |
| 10 | T12 receptor_for_pose_view.pdb |
T12 Report dockmulti_91311c650f2e_T12 |
4598 | 302 ARG:576; ILE:456; VAL:448; GLU:360; ALA:340; LEU:304; TYR:252; HIS:204; PRO:196; THR:196; GLY:182; LYS:176; ASP:168; PHE:160; MET:153; SER:121 |
2 | ★ Native ligand Compound 2345 |
16 contacts · 16 H-bonds A:ARG140;A:ARG144;A:ASN106;A:HIS105;A:HIS141;B:ARG46;B:ASP13;B:CYS72;B:GLY73;B:GLY75;B:GLY77;B:HIS14;B:ILE15;B:ILE76;B:SER74;B:TYR49 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T12/receptor_for_pose_view.pdb |
| 11 | T13 receptor_for_pose_view.pdb |
T13 Report dockmulti_91311c650f2e_T13 |
6340 | 411 VAL:624; LEU:551; LYS:506; ARG:480; PHE:460; ILE:418; ASP:348; GLU:332; THR:322; TYR:315; PRO:308; ALA:290; SER:264; GLY:224; ASN:210; GLN:170 |
1 | - | 19 contacts · 10 H-bonds A:ALA111;A:ALA67;A:ARG154;A:ARG277;A:ASP332;A:ASP88;A:CYS70;A:GLU274;A:GLY236;A:GLY237;A:GLY276;A:HIS197;A:LYS69;A:PHE238;A:PRO275;A:SER200;A:TYR278;A:TYR331;A:TYR389 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T13/receptor_for_pose_view.pdb |
| 12 | T14 receptor_for_pose_view.pdb |
T14 Report dockmulti_91311c650f2e_T14 |
6140 | 398 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 |
1 | ★ Native ligand Compound 2534 |
15 contacts · 7 H-bonds 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 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T14/receptor_for_pose_view.pdb |
| 13 | T15 receptor_for_pose_view.pdb |
T15 Report dockmulti_91311c650f2e_T15 |
7420 | 489 VAL:768; LYS:704; LEU:703; ILE:532; GLU:450; THR:434; ARG:408; PHE:400; ALA:390; ASN:350; PRO:350; GLY:336; SER:319; TYR:294; ASP:264; MET:204 |
1 | ★ Native ligand Compound 2820 |
13 contacts · 0 H-bonds B:ALA209;B:ARG74;B:ASN208;B:GLY214;B:GLY215;B:GLY85;B:LEU73;B:LYS211;B:MET70;B:PHE83;B:PRO212;B:PRO213;B:VAL88 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T15/receptor_for_pose_view.pdb |
| 14 | T16 receptor_for_pose_view.pdb |
T16 Report dockmulti_91311c650f2e_T16 |
7551 | 493 VAL:768; LYS:704; LEU:703; ILE:532; GLU:450; THR:434; ARG:408; PHE:400; ALA:390; ASN:350; PRO:350; GLY:336; SER:319; TYR:294; ASP:276; MET:221 |
1 | ★ Native ligand Compound 3064 |
12 contacts · 0 H-bonds A:ALA90;A:ARG74;A:GLY85;A:LEU73;A:LYS89;A:MET70;A:PHE83;A:PRO212;A:PRO213;A:SER86;A:SER87;A:VAL88 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T16/receptor_for_pose_view.pdb |
| 15 | T17 receptor_for_pose_view.pdb |
T17 Report dockmulti_91311c650f2e_T17 |
15160 | 1033 VAL:1536; LEU:1387; LYS:1386; ILE:1064; GLU:900; THR:868; ARG:816; PHE:800; ALA:780; ASN:700; PRO:686; GLY:672; SER:616; TYR:588; ASP:528; MET:408 |
2 | ★ Native ligand Compound 3066 |
13 contacts · 5 H-bonds A:ALA365;A:ARG228;A:ARG331;A:GLY229;A:GQJ508;A:LEU332;A:LEU334;A:MET333;A:PHE198;A:PHE230;A:SER364;A:THR374;A:VAL366 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T17/receptor_for_pose_view.pdb |
| 16 | T18 receptor_for_pose_view.pdb |
T18 Report dockmulti_91311c650f2e_T18 |
7550 | 493 VAL:768; LYS:704; LEU:703; ILE:532; GLU:450; THR:434; ARG:408; PHE:400; ALA:390; ASN:350; PRO:350; GLY:336; SER:319; TYR:294; ASP:276; MET:221 |
1 | ★ Native ligand Compound 3064 |
13 contacts · 0 H-bonds A:ASP116;A:GLU18;A:GLY112;A:ILE106;A:LEU17;A:MET113;A:SER109;A:THR117;A:THR335;A:TRP21;A:TYR110;A:VAL53;A:VAL58 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T18/receptor_for_pose_view.pdb |
| 17 | T19 receptor_for_pose_view.pdb |
T19 Report dockmulti_91311c650f2e_T19 |
7541 | 493 VAL:768; LYS:704; LEU:703; ILE:532; GLU:450; THR:434; ARG:408; PHE:400; ALA:390; ASN:350; PRO:350; GLY:336; SER:330; TYR:294; ASP:264; MET:221 |
1 | ★ Native ligand Compound 3301 |
27 contacts · 16 H-bonds C:ALA284;C:ALA365;C:ARG222;C:ARG228;C:ARG287;C:ASN223;C:ASN254;C:GLN165;C:GLU202;C:GLY195;C:GLY196;C:GLY197;C:GLY286;C:ILE199;C:ILE285;C:LEU227;C:LEU334;C:LYS60;C:MET333;C:NDP800;C:PHE198;C:PHE367;C:PRO167;C:SER200;C:TYR221;C:VAL194;C:VAL366 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T19/receptor_for_pose_view.pdb |
| 18 | T20 receptor_for_pose_view.pdb |
T20 Report dockmulti_91311c650f2e_T20 |
7539 | 492 VAL:768; LYS:704; LEU:703; ILE:532; GLU:450; THR:434; ARG:408; PHE:400; ALA:390; ASN:350; PRO:350; GLY:336; SER:319; TYR:294; ASP:264; MET:221 |
1 | ★ Native ligand Compound 3456 |
8 contacts · 2 H-bonds A:ASN402;A:GLU467;A:LEU399;A:PHE396;A:PRO398;A:SER394;A:SER470;A:THR397 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T20/receptor_for_pose_view.pdb |
| 19 | T21 receptor_for_pose_view.pdb |
T21 Report dockmulti_91311c650f2e_T21 |
4646 | 305 ARG:576; ILE:532; VAL:512; GLU:420; ALA:360; PHE:240; HIS:238; LYS:220; THR:210; LEU:190; PRO:168; TYR:168; GLY:154; SER:154; ASP:144; ASN:112 |
2 | ★ Native ligand Compound 2345 |
14 contacts · 16 H-bonds A:ARG137;A:ARG141;A:ASN103;A:HIS102;A:HIS138;B:ASP10;B:CYS69;B:GLY70;B:GLY74;B:HIS11;B:ILE73;B:PRO12;B:SER71;B:TYR46 |
Open native pose data/uploads/docking/reports/dockmulti_91311c650f2e_T21/receptor_for_pose_view.pdb |