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Receptor
PDB id Resolution Class Description Source Keywords
4PA0 2.25 Å NON-ENZYME: MOBILE OMECAMTIV MERCARBIL BINDING SITE ON THE HUMAN BETA-CARDIAC M MOTOR DOMAIN HOMO SAPIENS, AEQUOREA VICTORIA CARDIAC MYOSIN MOTOR OMECAMTIV MERCARBIL MOTOR-FLUORESCEPROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR DRUG-INDUCED ALLOSTERIC CHANGE HUMAN BETA-CARDIAC MYOSIN MOTOR ACTIVITY. NAT COMMUN V. 6 7974 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:1102;
B:1104;
B:1103;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
2OW A:1101;
B:1101;
Valid;
Valid;
none;
none;
Ki = 100 nM
401.435 C20 H24 F N5 O3 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PA0 2.25 Å NON-ENZYME: MOBILE OMECAMTIV MERCARBIL BINDING SITE ON THE HUMAN BETA-CARDIAC M MOTOR DOMAIN HOMO SAPIENS, AEQUOREA VICTORIA CARDIAC MYOSIN MOTOR OMECAMTIV MERCARBIL MOTOR-FLUORESCEPROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR DRUG-INDUCED ALLOSTERIC CHANGE HUMAN BETA-CARDIAC MYOSIN MOTOR ACTIVITY. NAT COMMUN V. 6 7974 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 4PA0 Ki = 100 nM 2OW C20 H24 F N5 O3 Cc1ccc(cn1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 56 families.
1 4PA0 Ki = 100 nM 2OW C20 H24 F N5 O3 Cc1ccc(cn1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 4PA0 Ki = 100 nM 2OW C20 H24 F N5 O3 Cc1ccc(cn1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2OW; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2OW 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PA0; Ligand: 2OW; 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: 4pa0.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4PA0; Ligand: 2OW; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 4pa0.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5LX9 OLB 2.46479
2 1R6N 434 4.73934
3 2VWA PTY 4.9505
4 2YLD CMO 7.08661
5 1XZ3 ICF 8.04598
6 1LNX URI 9.87654
7 5C1M OLC 12
8 1MT1 AG2 20.354
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