Receptor
PDB id Resolution Class Description Source Keywords
6BTP 1.93 Å EC: 3.4.24.19 BMP1 COMPLEXED WITH A HYDROXAMATE 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:304;
A:303;
A:302;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
65.409 Zn [Zn+2...
SCN B:301;
B:303;
A:301;
B:302;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
58.082 C N S C(#N)...
PRO A:200;
 Invalid;
 none;
 submit data
115.13 C5 H9 N O2 C1C[C...
E8J A:304;
 Valid;
 none;
 submit data
433.501 C21 H31 N5 O5 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BTP 1.93 Å EC: 3.4.24.19 BMP1 COMPLEXED WITH A HYDROXAMATE 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 6BTP - E8J C21 H31 N5 O5 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 6BTP - E8J C21 H31 N5 O5 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 6BTP - E8J C21 H31 N5 O5 CCCCC[C@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: E8J; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 E8J 1 1
2 E8P 0.556604 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: E8J; 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 : 6BTP; Ligand: E8J; 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: 6btp.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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