Receptor
PDB id Resolution Class Description Source Keywords
4CIB 1.89 Å EC: 3.4.16.5 CRYSTAL STRUCTURE OF CATHEPSIN A, COMPLEXED WITH COMPOUND 2 HOMO SAPIENS HYDROLASE DRUG DISCOVERY SERINE CARBOXYPEPTIDASE CARDIOVADRUG HEART FAILURE ENDOTHELIN TETRAHEDRAL INTERMEDIATE INHIBITOR
Ref.: CRYSTAL STRUCTURE OF CATHEPSIN A, A NOVEL TARGET FO TREATMENT OF CARDIOVASCULAR DISEASES. BIOCHEM.BIOPHYS.RES.COMMUN. V. 445 451 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG A:3020;
A:3010;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
CD A:1456;
A:1459;
A:1455;
A:1458;
A:1457;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
7UZ A:1454;
Valid;
none;
submit data
200.232 C10 H16 O4 C1CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CIB 1.89 Å EC: 3.4.16.5 CRYSTAL STRUCTURE OF CATHEPSIN A, COMPLEXED WITH COMPOUND 2 HOMO SAPIENS HYDROLASE DRUG DISCOVERY SERINE CARBOXYPEPTIDASE CARDIOVADRUG HEART FAILURE ENDOTHELIN TETRAHEDRAL INTERMEDIATE INHIBITOR
Ref.: CRYSTAL STRUCTURE OF CATHEPSIN A, A NOVEL TARGET FO TREATMENT OF CARDIOVASCULAR DISEASES. BIOCHEM.BIOPHYS.RES.COMMUN. V. 445 451 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CIB - 7UZ C10 H16 O4 C1CCC(CC1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CIB - 7UZ C10 H16 O4 C1CCC(CC1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CIB - 7UZ C10 H16 O4 C1CCC(CC1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7UZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7UZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CIB; Ligand: 7UZ; 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: 4cib.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CIB; Ligand: 7UZ; 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: 4cib.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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