Receptor
PDB id Resolution Class Description Source Keywords
1WAY 2.02 Å EC: 3.4.21.5 ACTIVE SITE THROMBIN INHIBITORS HOMO SAPIENS PROTEASE BLOOD COAGULATION ACUTE PHASE CALCIUM-BINDING DMUTATION GAMMA-CARBOXYGLUTAMIC ACID GLYCOPROTEIN KRINGLESERINE PROTEASE VITAMIN K HYDROLASE-HYDROLASE INHIBITOR C
Ref.: FRAGMENT-BASED LEAD DISCOVERY USING X-RAY CRYSTALLO J.MED.CHEM. V. 48 403 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU I:55;
Valid;
none;
submit data
1129.21 n/a S(=O)...
DMS B:1249;
B:1250;
B:1251;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
L02 B:1248;
Valid;
none;
ic50 = 400 uM
261.75 C14 H16 Cl N3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ANM 2.4 Å EC: 3.4.21.5 TERNARY COMPLEX OF AN ORALLY ACTIVE THROMBIN INHIBITOR WITH THROMBIN AND A C-TERMINAL HIRUDIN DERIVED EXO-SIT INHIBITOR HOMO SAPIENS BLOOD CLOTTING
Ref.: ORALLY ACTIVE THROMBIN INHIBITORS. PART 2: OPTIMIZA THE P2-MOIETY BIOORG.MED.CHEM.LETT. V. 16 2648 2006
Members (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
2 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
3 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
4 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
5 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
6 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
7 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
8 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
9 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
10 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
11 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
12 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
13 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
14 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
15 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
17 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
18 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
19 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
20 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
21 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
22 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
23 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
24 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
25 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 1XMN - SGN IDS SGN IDS SGN n/a n/a
27 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
28 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
29 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
31 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
32 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 Ki = 4.4 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
20 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
21 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
22 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
23 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
24 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
25 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
26 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
27 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
29 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
31 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
33 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
34 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
35 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
36 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
37 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
38 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
39 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
40 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
41 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
43 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
45 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1XMN - SGN IDS SGN IDS SGN n/a n/a
47 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
48 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
49 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
50 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
51 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
52 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
53 3PMA - GU4 YYJ n/a n/a
54 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
50% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 [H]/N=C(N)....
3 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
4 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
5 1H8D - PHW C45 H48 N3 O9 P CO/C=C/C[C....
6 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
7 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [H]/N=C(/N....
8 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
9 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
10 1YPK - CCR C29 H39 N5 O7 S Cc1cc(c(c(....
11 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 c1ccc(cc1)....
12 4LOY - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
14 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
15 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
16 3BV9 Ki = 4.4 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
17 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
18 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a
19 1UVT Ki = 0.023 uM I48 C20 H22 N3 O3 S Cc1cc(cc(c....
20 1ETT Ki = 1.3 uM 4QQ C22 H28 N4 O3 S [H]/N=C(c1....
21 1ETR - MIT C23 H37 N6 O5 S C[C@@H]1CC....
22 1ETS Ki = 6 nM MID C27 H31 N5 O4 S [H]/N=C(/c....
23 1HXF - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
24 1C5N Ki = 20 uM ESI C9 H8 I N2 S c1cc2c(cc(....
25 2JH0 Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
26 1WBG ic50 = 1 mM L03 C9 H8 Cl N3 S CSc1[nH]c(....
27 1AFE - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
28 3DA9 Kd = 3.1 uM 44U C23 H29 N3 O2 CCCNC(=O)[....
29 2UUJ - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
30 1QHR - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
31 1QJ1 ic50 = 9 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
32 1AE8 - AZL C21 H33 N5 O4 CCOC(=O)N[....
33 1C5L - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
34 4BAO Ki = 4.29 nM MVF C22 H32 N6 O3 [H]/N=C(/c....
35 2JH5 Ki = 367 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
36 1HXE - ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU n/a n/a
37 1QJ6 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
38 1AWF Ki = 0.97 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
39 2GDE ic50 = 5.7 nM SN3 C26 H43 Cl N6 O10 S [H]/N=C(N)....
40 8KME Ki = 8 uM ACE 0BN CHG MLY LEU PRO NH2 n/a n/a
41 1NY2 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
42 2H9T - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
43 1QJ7 ic50 = 18 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
44 1UMA - IN2 C8 H18 N4 O3 CN(C)C(=O)....
45 2UUK - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
46 1AD8 Ki = 247 nM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
47 2UUF - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
48 1XMN - SGN IDS SGN IDS SGN n/a n/a
49 2JH6 Ki = 17 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
50 2ANM ic50 = 1.8 nM CDO C23 H32 N6 O4 [H]/N=C(/c....
51 1HAH - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
52 3BF6 ic50 = 40 uM SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
53 1WAY ic50 = 400 uM L02 C14 H16 Cl N3 c1cc(ccc1c....
54 7KME Ki = 40 uM ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
55 3PMA - GU4 YYJ n/a n/a
56 3BEF - ASN ASP LYS TYR GLU PRO PHE TRP GLU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 1 1
2 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.727273 0.987342
3 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.716129 0.775
4 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.688742 0.962025
5 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.658385 0.85
6 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.527607 0.626506
7 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.51497 0.740741
8 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.5 0.7625
9 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.486486 0.831325
10 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.473118 0.629214
11 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.464481 0.753086
12 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.461988 0.719512
13 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.448276 0.703704
14 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.445026 0.715909
15 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.444444 0.662791
16 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.44 0.746835
17 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.438202 0.759494
18 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.435484 0.622222
19 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.433526 0.695122
20 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.430939 0.695122
21 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.429379 0.703704
22 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.429319 0.693182
23 LEU PHE GLY TYR PRO VAL TYR VAL 0.425287 0.759494
24 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.423729 0.756098
25 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.42246 0.710843
26 ASP LEU PRO PHE 0.419355 0.692308
27 PRO GLN PTR GLU GLU ILE PRO ILE 0.413408 0.8125
28 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.411111 0.759494
29 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.411111 0.759494
30 PRO GLN PTR GLU PTR ILE PRO ALA 0.411111 0.8375
31 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.411111 0.775
32 ALA THR PRO PHE GLN GLU 0.407186 0.6625
33 ALA PHE ARG ILE PRO LEU THR ARG 0.406593 0.666667
34 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.405882 0.658537
35 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.404255 0.75
36 LEU PRO SER PHE GLU THR ALA LEU 0.40113 0.695122
37 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.40107 0.710843
38 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.401042 0.768293
39 TRP ASP ILE PRO PHE 0.4 0.692308
Ligand no: 2; Ligand: L02; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 L02 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: L02; Similar ligands found: 216
No: Ligand Similarity coefficient
1 S45 0.9777
2 RF2 0.9627
3 0MB 0.9443
4 D25 0.9423
5 D26 0.9377
6 IPJ 0.9370
7 90G 0.9353
8 2OX 0.9328
9 CIU 0.9296
10 7KE 0.9274
11 39R 0.9223
12 SJR 0.9223
13 JVB 0.9213
14 SNJ 0.9206
15 K4T 0.9206
16 1GV 0.9187
17 NVS 0.9183
18 JON 0.9169
19 90M 0.9160
20 REG 0.9139
21 20P 0.9138
22 5ET 0.9136
23 9EG 0.9121
24 A9B 0.9109
25 PB2 0.9109
26 HDI 0.9107
27 1Q2 0.9103
28 KWV 0.9101
29 BSU 0.9091
30 MKN 0.9089
31 F41 0.9071
32 F5N 0.9049
33 1R5 0.9049
34 4ZW 0.9044
35 BP5 0.9038
36 SYD 0.9033
37 CT0 0.9029
38 245 0.9024
39 E42 0.9022
40 246 0.9022
41 43G 0.9016
42 4VC 0.9009
43 J84 0.9000
44 JP5 0.8992
45 H50 0.8988
46 F91 0.8985
47 HHB 0.8985
48 K0G 0.8982
49 SO7 0.8980
50 4B8 0.8973
51 6XR 0.8970
52 5EU 0.8963
53 4P9 0.8955
54 S0B 0.8954
55 C0E 0.8952
56 D9Q 0.8947
57 A9E 0.8943
58 HCC 0.8942
59 N0E 0.8941
60 83D 0.8940
61 FZ3 0.8933
62 0K7 0.8928
63 BZM 0.8925
64 TEF 0.8924
65 ESJ 0.8921
66 GJG 0.8918
67 S38 0.8917
68 HAU 0.8914
69 HPX 0.8913
70 P7V 0.8909
71 UN3 0.8906
72 SVG 0.8901
73 00G 0.8895
74 JPW 0.8894
75 4KN 0.8892
76 ZUF 0.8887
77 E92 0.8884
78 G50 0.8873
79 BGK 0.8866
80 658 0.8865
81 0RA 0.8865
82 CMZ 0.8864
83 SQG 0.8862
84 KOT 0.8862
85 S8P 0.8853
86 2JP 0.8851
87 D1G 0.8850
88 0QA 0.8849
89 Q8G 0.8848
90 1Q1 0.8842
91 E98 0.8840
92 Y27 0.8834
93 JP8 0.8829
94 521 0.8829
95 4Z0 0.8824
96 7SB 0.8824
97 LIT 0.8823
98 H0V 0.8823
99 J2N 0.8821
100 121 0.8820
101 205 0.8819
102 A0R 0.8817
103 X8W 0.8811
104 BDE 0.8810
105 K5D 0.8808
106 8CC 0.8808
107 KWD 0.8808
108 4UE 0.8807
109 U55 0.8803
110 120 0.8799
111 HPK 0.8798
112 1HP 0.8797
113 135 0.8793
114 BXS 0.8791
115 NK5 0.8789
116 OGY 0.8786
117 C0V 0.8786
118 PW5 0.8781
119 5DE 0.8778
120 GYZ 0.8778
121 20N 0.8777
122 YE6 0.8773
123 D2G 0.8770
124 6NF 0.8769
125 5C1 0.8768
126 BMZ 0.8767
127 27K 0.8767
128 FCW 0.8765
129 MT6 0.8764
130 122 0.8762
131 69W 0.8761
132 JVD 0.8756
133 JV5 0.8754
134 4WA 0.8754
135 PHQ DTH 0.8753
136 D64 0.8750
137 HPZ 0.8741
138 LC1 0.8741
139 Q86 0.8740
140 UV4 0.8739
141 2L7 0.8739
142 CR4 0.8739
143 BAI 0.8734
144 JXA 0.8734
145 LZ4 0.8732
146 E8Z 0.8731
147 0UL 0.8731
148 AD6 0.8730
149 GJE 0.8729
150 5ZM 0.8727
151 UMP 0.8724
152 G2V 0.8723
153 6FG 0.8713
154 7GM 0.8709
155 49G 0.8707
156 6C8 0.8707
157 MBT 0.8699
158 8YH 0.8698
159 5NR 0.8696
160 6C5 0.8693
161 EEK 0.8689
162 PTR 0.8687
163 9ME 0.8686
164 NC4 0.8683
165 A8D 0.8681
166 FX5 0.8680
167 JCQ 0.8676
168 68C 0.8676
169 PHE ALA 0.8668
170 35K 0.8662
171 VGV 0.8661
172 22M 0.8659
173 5TO 0.8659
174 5WK 0.8658
175 Z3R 0.8658
176 4UM 0.8656
177 9W8 0.8655
178 D9T 0.8653
179 M4N 0.8650
180 GHQ 0.8648
181 YI1 0.8645
182 AT2 0.8642
183 JZJ 0.8642
184 RKY 0.8641
185 0DF 0.8640
186 7ZO 0.8638
187 K97 0.8636
188 N9M 0.8634
189 0S0 0.8625
190 PIQ 0.8622
191 5EZ 0.8622
192 RGK 0.8621
193 NNF 0.8621
194 6DQ 0.8618
195 3F4 0.8616
196 F21 0.8613
197 SZ5 0.8610
198 08C 0.8610
199 S0J 0.8606
200 MFY 0.8605
201 XZ1 0.8604
202 KOH 0.8603
203 LVB 0.8601
204 IYX 0.8591
205 KU1 0.8590
206 4UJ 0.8585
207 GUS 0.8575
208 0H9 0.8572
209 GQZ 0.8557
210 DCM 0.8546
211 NIF 0.8544
212 NRG 0.8543
213 BBP 0.8540
214 MMJ 0.8539
215 91F 0.8525
216 X6W 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ANM; Ligand: CDO; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2anm.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1OSS BEN 47.0852
2 1SQA UI1 47.3469
3 1FIW PBZ 49.4163
4 1PQ7 ARG 49.5536
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