Receptor
PDB id Resolution Class Description Source Keywords
5OKL 2.09 Å NON-ENZYME: OTHER HUMAN AFAMIN MONOCLINIC CRYSTAL FORM HOMO SAPIENS TRANSPORT PROTEIN HUMAN PLASMA WNT BINDING LIPID BINDING
Ref.: STRUCTURAL EVIDENCE FOR A ROLE OF THE MULTI-FUNCTIO GLYCOPROTEIN AFAMIN IN WNT TRANSPORT. STRUCTURE V. 25 1907 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG BMA C:1;
E:1;
 Invalid;
Invalid;
 none;
none;
 submit data
570.545 n/a O=C(N...
CL A:801;
A:802;
B:801;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
35.453 Cl [Cl-]
PAM B:800;
 Valid;
 none;
 submit data
254.408 C16 H30 O2 CCCCC...
NAG B:741;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG D:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OKL 2.09 Å NON-ENZYME: OTHER HUMAN AFAMIN MONOCLINIC CRYSTAL FORM HOMO SAPIENS TRANSPORT PROTEIN HUMAN PLASMA WNT BINDING LIPID BINDING
Ref.: STRUCTURAL EVIDENCE FOR A ROLE OF THE MULTI-FUNCTIO GLYCOPROTEIN AFAMIN IN WNT TRANSPORT. STRUCTURE V. 25 1907 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5OKL - PAM C16 H30 O2 CCCCCCC=C/....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5OKL - PAM C16 H30 O2 CCCCCCC=C/....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4E99 - P8S C8 H F17 O3 S C(C(C(C(C(....
2 1E7G - MYR C14 H28 O2 CCCCCCCCCC....
3 2XW1 - 9NV C17 H22 N2 O4 S CCC[C@@H](....
4 4L8U - 9AZ C20 H19 N3 O5 CC[C@](C1=....
5 2XVV - MYR C14 H28 O2 CCCCCCCCCC....
6 2BXK - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
7 2BXH - IOS C8 H7 N O4 S c1ccc2c(c1....
8 4BKE - PLM C16 H32 O2 CCCCCCCCCC....
9 1E7A - PFL C12 H18 O CC(C)c1ccc....
10 4Z69 - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
11 1HA2 Kd = 2.9 uM SWF C19 H16 O4 CC(=O)C[C@....
12 6EZQ Kd = 14 uM C7K C18 H26 N4 O5 c1cc(c2c(c....
13 1GNI Kd = 8.5 nM OLA C18 H34 O2 CCCCCCCCC=....
14 5ID7 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
15 6R7S - SAS C18 H14 N4 O5 S c1ccnc(c1)....
16 2BXA - C1F C12 H16 O5 CCCc1c(c(c....
17 4L9K - EHF C20 H18 N2 O5 CC[C@](C1=....
18 2BXP - P1Z C19 H20 N2 O2 CCCCC1C(=O....
19 2XW0 - 9NF C21 H22 N2 O4 S CN(C)c1ccc....
20 1BJ5 - MYR C14 H28 O2 CCCCCCCCCC....
21 4IW2 - GLC C6 H12 O6 C([C@@H]1[....
22 1E7C - MYR C14 H28 O2 CCCCCCCCCC....
23 4LA0 - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
24 1E7F - DAO C12 H24 O2 CCCCCCCCCC....
25 6A7P Ka = 7.51 M^-1 9SC C23 H27 Cl2 N3 O2 c1cc(c(c(c....
26 6WUW - UAY C13 H8 N2 O2 S [H]/N=C1/c....
27 2BXI - MYR C14 H28 O2 CCCCCCCCCC....
28 1E7B - HLT C2 H Br Cl F3 [C@@H](C(F....
29 1H9Z Kd = 3.8 uM RWF C19 H16 O4 CC(=O)C[C@....
30 1HK4 Kd = 4.9 uM T44 C15 H11 I4 N O4 c1c(cc(c(c....
31 2BXM - MYR C14 H28 O2 CCCCCCCCCC....
32 1E7E - DKA C10 H20 O2 CCCCCCCCCC....
33 1E7H - PLM C16 H32 O2 CCCCCCCCCC....
34 6XK0 - DEX C22 H29 F O5 C[C@@H]1C[....
35 5ID9 - 6A4 C17 H32 O4 P S2 CCCCCCCCCC....
36 4J2V - DIU C7 H4 I2 O3 c1c(cc(c(c....
37 5DQF Kd = 253 uM CZE C21 H25 Cl N2 O3 c1ccc(cc1)....
38 4OT2 - NPS C14 H14 O3 C[C@@H](c1....
39 5DBY Ka = 7730000 M^-1 NPS C14 H14 O3 C[C@@H](c1....
40 4ZBQ Ka = 39000 M^-1 DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
41 6OCJ Ka = 41100 M^-1 M5A C14 H12 O3 S C[C@@H](c1....
42 4ZBR Ka = 39000 M^-1 DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
43 6OCK Ka = 20400 M^-1 9KL C16 H14 O3 C[C@@H](c1....
44 6OCL Ka = 63000 M^-1 M5A C14 H12 O3 S C[C@@H](c1....
45 5OKL - PAM C16 H30 O2 CCCCCCC=C/....
46 5OTB - PRO C5 H9 N O2 C1C[C@H](N....
47 5OSW - DIU C7 H4 I2 O3 c1c(cc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PAM; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PAM 1 1
2 VCA 1 1
3 ELA 0.939394 1
4 NER 0.939394 1
5 OLA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 ODD 0.675 0.956522
9 DAO 0.666667 0.954545
10 F23 0.666667 0.954545
11 MYR 0.666667 0.954545
12 TDA 0.666667 0.954545
13 11A 0.666667 0.954545
14 PLM 0.666667 0.954545
15 STE 0.666667 0.954545
16 X90 0.666667 0.954545
17 KNA 0.666667 0.954545
18 DCR 0.666667 0.954545
19 F15 0.666667 0.954545
20 DKA 0.666667 0.954545
21 EW8 0.666667 0.954545
22 OCA 0.636364 0.954545
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.564103 0.84
27 ODT 0.555556 0.826087
28 T25 0.54717 0.709677
29 AZ1 0.53125 0.615385
30 10Y 0.529412 0.645161
31 6NA 0.529412 0.863636
32 10X 0.529412 0.645161
33 3X1 0.525 0.863636
34 MVC 0.519231 0.617647
35 243 0.519231 0.846154
36 VA 0.511111 0.692308
37 OLC 0.490566 0.617647
38 OLB 0.490566 0.617647
39 ACD 0.488889 0.956522
40 EOD 0.468085 0.677419
41 1WV 0.45283 0.617647
42 78M 0.444444 0.617647
43 78N 0.444444 0.617647
44 3LA 0.44186 0.769231
45 LEA 0.441176 0.772727
46 T24 0.438596 0.769231
47 BRC 0.435897 0.64
48 M12 0.428571 0.833333
49 MPG 0.425926 0.617647
50 9OD 0.422222 0.72
51 14V 0.413043 0.714286
52 BMJ 0.4 0.913043
53 D0G 0.4 0.913043
54 14U 0.4 0.678571
55 BNV 0.4 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: PAM; Similar ligands found: 1
No: Ligand Similarity coefficient
1 SP5 0.8715
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OKL; Ligand: PAM; 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: 5okl.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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