Receptor
PDB id Resolution Class Description Source Keywords
4L5M 1.8 Å NON-ENZYME: OTHER COMPLEXE OF ARNO SEC7 DOMAIN WITH THE PROTEIN-PROTEIN INTERA INHIBITOR N-(4-HYDROXY-2,6-DIMETHYLPHENYL)BENZENESULFONAMID HOMO SAPIENS SEC-7DOMAIN SIGNALING PROTEIN-INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED IDENTIFICATION OF A LOCUS IN THE SEC OF ARNO FOR THE DESIGN OF PROTEIN-PROTEIN INTERACTI INHIBITORS J.MED.CHEM. 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:301;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
HRC A:302;
Valid;
none;
submit data
277.339 C14 H15 N O3 S Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JMO 1.8 Å NON-ENZYME: OTHER COMPLEXE OF ARNO SEC7 DOMAIN WITH THE PROTEIN-PROTEIN INTERA INHIBITOR N-(4-HYDROXY-2,6-DIMETHYLPHENYL)-4- M ETHOXYBENZENESULFONAMIDE HOMO SAPIENS NUCLEOTIDE EXCHANGE FACTOR ARF1 SIGNALING PROTEIN-INHIBITO
Ref.: FRAGMENT-BASED IDENTIFICATION OF A LOCUS IN THE SEC OF ARNO FOR THE DESIGN OF PROTEIN-PROTEIN INTERACTI INHIBITORS J.MED.CHEM. V. 56 8497 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4L5M - HRC C14 H15 N O3 S Cc1cc(cc(c....
2 4JWL - HRC C14 H15 N O3 S Cc1cc(cc(c....
3 4JXH Ki = 3.72 mM HRC C14 H15 N O3 S Cc1cc(cc(c....
4 4JMO Ki = 1.61 mM JAF C15 H17 N O4 S Cc1cc(cc(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4L5M - HRC C14 H15 N O3 S Cc1cc(cc(c....
2 4JWL - HRC C14 H15 N O3 S Cc1cc(cc(c....
3 4JXH Ki = 3.72 mM HRC C14 H15 N O3 S Cc1cc(cc(c....
4 4JMO Ki = 1.61 mM JAF C15 H17 N O4 S Cc1cc(cc(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2R0D - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 4L5M - HRC C14 H15 N O3 S Cc1cc(cc(c....
3 4JWL - HRC C14 H15 N O3 S Cc1cc(cc(c....
4 4JXH Ki = 3.72 mM HRC C14 H15 N O3 S Cc1cc(cc(c....
5 4JMO Ki = 1.61 mM JAF C15 H17 N O4 S Cc1cc(cc(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HRC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HRC 1 1
2 JAF 0.604167 0.962264
3 A09 0.428571 0.660714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JMO; Ligand: JAF; 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: 4jmo.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback