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 68 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 59 families.
1 4PA0 Ki = 100 nM 2OW C20 H24 F N5 O3 Cc1ccc(cn1....
50% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LVK Kd = 1.2 uM MNT BEF n/a n/a
2 1MMA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 1YV3 - BIT C18 H16 N2 O2 Cc1ccc2c(c....
4 3BZ7 - BL4 C18 H16 N2 O2 Cc1cccc2c1....
5 1D0Y - ONP C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
6 3BZ9 - BL7 C17 H14 N2 O2 c1ccc(cc1)....
7 1D1A - DAE C8 H10 Be F3 N3 O11 P2 [Be-](O[P@....
8 2XO8 - H70 C10 H4 Br3 Cl2 N O c1c(cc(c(c....
9 1D0Z - PNQ C8 H11 Be F3 N2 O9 P2 [Be](O[P@@....
10 1D1C - NMQ C9 H13 Be F3 N2 O9 P2 [Be-](O[P@....
11 2JJ9 - AD9 C10 H16 N5 O13 P2 V c1nc(c2c(n....
12 3MYH - BIT C18 H16 N2 O2 Cc1ccc2c(c....
13 1MMD - ADP BEF n/a n/a
14 1D0X - MNQ C8 H11 Be F3 N2 O9 P2 [Be-](O[P@....
15 1FMW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 4PJK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 3MJX - BIT C18 H16 N2 O2 Cc1ccc2c(c....
18 2XEL - IA2 C10 H4 Cl5 N O c1c(cc(c(c....
19 1MMN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
20 3MYK - BIT C18 H16 N2 O2 Cc1ccc2c(c....
21 1MMG - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
22 1VOM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 3BZ8 - BL6 C18 H16 N2 O2 Cc1ccc2c(c....
24 1D1B - DAQ C9 H12 Be F3 N3 O11 P2 [Be](O[P@@....
25 5HMP - VO4 ADP n/a n/a
26 4ZG4 - VO4 ADP n/a n/a
27 4PFP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 5O2L - ADP BEF n/a n/a
29 4PJN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 2V26 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 4PJM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 4PJL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 4PFO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 6QDJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 1JWY - BGC C6 H12 O6 C([C@@H]1[....
36 4PA0 Ki = 100 nM 2OW C20 H24 F N5 O3 Cc1ccc(cn1....
37 5I0H - ADP BEF n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2OW; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2OW 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2OW; 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 : 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4pa0.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback