Receptor
PDB id Resolution Class Description Source Keywords
2CM4 1.9 Å NON-ENZYME: OTHER THE COMPLEMENT INHIBITOR OMCI IN COMPLEX WITH RICINOLEIC ACID ORNITHODOROS MOUBATA ORNITHODOROS MOUBATA C5 TICK OMCI LIPOCALIN INHIBITOR COMPLEMENT
Ref.: THE STRUCTURE OF OMCI, A NOVEL LIPOCALIN INHIBITOR OF THE COMPLEMENT SYSTEM. J.MOL.BIOL. V. 369 784 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1169;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
RCL A:1170;
 Valid;
 none;
 submit data
298.461 C18 H34 O3 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CM4 1.9 Å NON-ENZYME: OTHER THE COMPLEMENT INHIBITOR OMCI IN COMPLEX WITH RICINOLEIC ACID ORNITHODOROS MOUBATA ORNITHODOROS MOUBATA C5 TICK OMCI LIPOCALIN INHIBITOR COMPLEMENT
Ref.: THE STRUCTURE OF OMCI, A NOVEL LIPOCALIN INHIBITOR OF THE COMPLEMENT SYSTEM. J.MOL.BIOL. V. 369 784 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2CM4 - RCL C18 H34 O3 CCCCCC[C@H....
2 2CM9 - RCL C18 H34 O3 CCCCCC[C@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2CM4 - RCL C18 H34 O3 CCCCCC[C@H....
2 2CM9 - RCL C18 H34 O3 CCCCCC[C@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2CM4 - RCL C18 H34 O3 CCCCCC[C@H....
2 2CM9 - RCL C18 H34 O3 CCCCCC[C@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RCL; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 RCL 1 1
2 OLA 0.625 0.88
3 VCA 0.625 0.88
4 PAM 0.625 0.88
5 NER 0.625 0.88
6 ELA 0.625 0.88
7 MYZ 0.571429 0.84
8 EIC 0.537037 0.846154
9 ODD 0.5 0.846154
10 243 0.5 0.961538
11 T25 0.476923 0.75
12 DAO 0.468085 0.84
13 MYR 0.468085 0.84
14 KNA 0.468085 0.84
15 EW8 0.468085 0.84
16 PLM 0.468085 0.84
17 DCR 0.468085 0.84
18 11A 0.468085 0.84
19 F23 0.468085 0.84
20 DKA 0.468085 0.84
21 TDA 0.468085 0.84
22 X90 0.468085 0.84
23 STE 0.468085 0.84
24 F15 0.468085 0.84
25 LNL 0.465517 0.769231
26 T24 0.454545 0.884615
27 OLB 0.453125 0.705882
28 OLC 0.453125 0.705882
29 MVC 0.453125 0.705882
30 OCA 0.446809 0.84
31 10X 0.4375 0.6875
32 10Y 0.4375 0.6875
33 EAH 0.434783 0.961538
34 SHV 0.425532 0.8
35 ODT 0.423729 0.730769
36 M12 0.423077 0.740741
37 78M 0.415385 0.705882
38 78N 0.415385 0.705882
39 KTC 0.415094 0.884615
40 HXD 0.4 0.888889
41 BMJ 0.4 0.807692
42 D0G 0.4 0.807692
43 1WV 0.4 0.705882
44 BNV 0.4 0.807692
45 FTT 0.4 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: RCL; 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 : 2CM4; Ligand: RCL; 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: 2cm4.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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