Receptor
PDB id Resolution Class Description Source Keywords
6BSL 1.45 Å EC: 3.4.24.19 BMP1 COMPLEXED WITH A REVERSE HYDROXYMATE - COMPOUND 22 HOMO SAPIENS ENDOPEPTIDASE HYDROLASE
Ref.: REVERSE HYDROXAMATE INHIBITORS OF BONE MORPHOGENETI 1. ACS MED CHEM LETT V. 9 736 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:302;
A:303;
A:302;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
ALA A:201;
Invalid;
none;
submit data
89.093 C3 H7 N O2 C[C@@...
SCN B:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
58.082 C N S C(#N)...
EDO B:304;
B:303;
A:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
EVV A:304;
Valid;
none;
Ki = 6.8 pM
632.659 C30 H40 N4 O11 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BSL 1.45 Å EC: 3.4.24.19 BMP1 COMPLEXED WITH A REVERSE HYDROXYMATE - COMPOUND 22 HOMO SAPIENS ENDOPEPTIDASE HYDROLASE
Ref.: REVERSE HYDROXAMATE INHIBITORS OF BONE MORPHOGENETI 1. ACS MED CHEM LETT V. 9 736 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6BSL Ki = 6.8 pM EVV C30 H40 N4 O11 CCCCC[C@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6BSL Ki = 6.8 pM EVV C30 H40 N4 O11 CCCCC[C@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BSL Ki = 6.8 pM EVV C30 H40 N4 O11 CCCCC[C@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EVV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EVV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EVV; 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 : 6BSL; Ligand: EVV; 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: 6bsl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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