Receptor
PDB id Resolution Class Description Source Keywords
6WVI 2.4 Å EC: 1.-.-.- VKOR-LIKE FROM TAKIFUGU RUBRIPES ESCHERICHIA VIRUS RB43, TAKIFUGU RUBRIAEQUOREA VICTORIA VITAMIN K EPOXIDE REDUCTASE VKOR VKOR-LIKE PROTEIN VKORLK WARFARIN SUPERWARFARIN VITAMIN K EXPOXIDE KO MEMBRAN
Ref.: STRUCTURAL BASIS OF ANTAGONIZING THE VITAMIN K CATA CYCLE FOR ANTICOAGULATION. SCIENCE 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLC A:501;
 Valid;
 Atoms found LESS than expected: % Diff = 0.32;
 submit data
356.54 C21 H40 O4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6WVI 2.4 Å EC: 1.-.-.- VKOR-LIKE FROM TAKIFUGU RUBRIPES ESCHERICHIA VIRUS RB43, TAKIFUGU RUBRIAEQUOREA VICTORIA VITAMIN K EPOXIDE REDUCTASE VKOR VKOR-LIKE PROTEIN VKORLK WARFARIN SUPERWARFARIN VITAMIN K EXPOXIDE KO MEMBRAN
Ref.: STRUCTURAL BASIS OF ANTAGONIZING THE VITAMIN K CATA CYCLE FOR ANTICOAGULATION. SCIENCE 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 6WVI - OLC C21 H40 O4 CCCCCCCCC=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6WVH - OLC C21 H40 O4 CCCCCCCCC=....
2 6WV7 - UAJ C23 H15 Cl O3 c1ccc(cc1)....
3 6WV3 - SWF C19 H16 O4 CC(=O)C[C@....
4 6WVI - OLC C21 H40 O4 CCCCCCCCC=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6WVH - OLC C21 H40 O4 CCCCCCCCC=....
2 6WV7 - UAJ C23 H15 Cl O3 c1ccc(cc1)....
3 6WV3 - SWF C19 H16 O4 CC(=O)C[C@....
4 6WVI - OLC C21 H40 O4 CCCCCCCCC=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OLC; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 OLC 1 1
2 OLB 1 1
3 MVC 0.958333 1
4 78N 0.9375 1
5 78M 0.9375 1
6 1WV 0.877551 1
7 GYM 0.808511 0.969697
8 EKG 0.808511 0.969697
9 1QW 0.808511 0.969697
10 NKP 0.683333 0.688889
11 1AG 0.62069 1
12 PGW 0.597222 0.733333
13 D3D 0.597222 0.733333
14 DR9 0.589041 0.733333
15 PGV 0.589041 0.733333
16 P6L 0.581081 0.733333
17 S12 0.577465 0.627451
18 OZ2 0.573333 0.733333
19 PGM 0.571429 0.727273
20 D21 0.558824 0.652174
21 P3A 0.558442 0.733333
22 NKO 0.533333 0.666667
23 NKN 0.533333 0.666667
24 DGA 0.525424 0.828571
25 FAW 0.525424 0.828571
26 DDR 0.525424 0.828571
27 1EM 0.525424 0.828571
28 L2C 0.525424 0.828571
29 OLA 0.519231 0.617647
30 NER 0.519231 0.617647
31 ELA 0.519231 0.617647
32 LOP 0.5 0.603774
33 L9Q 0.5 0.603774
34 6OU 0.5 0.603774
35 RXY 0.493506 0.603774
36 VCA 0.490566 0.617647
37 PAM 0.490566 0.617647
38 ZPE 0.487179 0.603774
39 BQ9 0.486111 0.857143
40 MPG 0.483871 0.941176
41 TGL 0.482759 0.722222
42 LHG 0.472222 0.711111
43 PGT 0.472222 0.711111
44 1O2 0.46988 0.711111
45 LBR 0.469697 0.805556
46 B7N 0.469136 0.607843
47 PVC 0.46875 0.815789
48 3TF 0.464286 0.711111
49 RCL 0.453125 0.705882
50 PG8 0.452055 0.711111
51 2JT 0.446429 0.882353
52 G2A 0.446429 0.882353
53 GP7 0.435294 0.603774
54 3WM 0.432836 0.885714
55 2WA 0.432836 0.885714
56 2WM 0.432836 0.885714
57 1L2 0.428571 0.711111
58 PGK 0.426829 0.666667
59 3PH 0.426471 0.630435
60 7PH 0.426471 0.630435
61 6PH 0.426471 0.630435
62 F57 0.426471 0.630435
63 LPP 0.426471 0.630435
64 AGA 0.421053 0.711111
65 7P9 0.42029 0.630435
66 PX8 0.42029 0.608696
67 PX2 0.42029 0.608696
68 SPL 0.41791 0.608696
69 18C 0.41791 0.608696
70 16C 0.41791 0.608696
71 PEK 0.411765 0.603774
72 VA 0.40678 0.617647
73 GGD 0.40625 0.680851
74 8ND 0.405797 0.636364
75 PA8 0.405797 0.608696
76 CD4 0.405405 0.666667
77 EIC 0.4 0.647059
78 CDL 0.4 0.622222
Similar Ligands (3D)
Ligand no: 1; Ligand: OLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6WVI; Ligand: OLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6wvi.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback