Receptor
PDB id Resolution Class Description Source Keywords
6QB4 2.38 Å NON-ENZYME: OTHER MCL1-SCFV COMPLEX WITH AN INDOLE ACID INHIBITOR HOMO SAPIENS MCL1 SCFV INDOLE ACID APOPTOSIS
Ref.: ANTIBODY FRAGMENTS STRUCTURALLY ENABLE A DRUG-DISCO CAMPAIGN ON THE CANCER TARGET MCL-1. ACTA CRYSTALLOGR D STRUCT V. 75 1003 2019 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HVN A:401;
 Valid;
 none;
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457.564 C28 H31 N3 O3 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QB4 2.38 Å NON-ENZYME: OTHER MCL1-SCFV COMPLEX WITH AN INDOLE ACID INHIBITOR HOMO SAPIENS MCL1 SCFV INDOLE ACID APOPTOSIS
Ref.: ANTIBODY FRAGMENTS STRUCTURALLY ENABLE A DRUG-DISCO CAMPAIGN ON THE CANCER TARGET MCL-1. ACTA CRYSTALLOGR D STRUCT V. 75 1003 2019 BIOL
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6QB4 - HVN C28 H31 N3 O3 Cc1c(c(n(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6QB4 - HVN C28 H31 N3 O3 Cc1c(c(n(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6QB4 - HVN C28 H31 N3 O3 Cc1c(c(n(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HVN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HVN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HVN; Similar ligands found: 3
No: Ligand Similarity coefficient
1 J3E 0.9521
2 LC3 0.9140
3 4M7 0.8535
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6QB4; Ligand: HVN; 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: 6qb4.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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