Receptor
PDB id Resolution Class Description Source Keywords
2FAP 2.2 Å EC: 5.2.1.8 THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-( ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA HOMO SAPIENS FKBP12 FRAP RAPAMYCIN COMPLEX (ISOMERASE-KINASE) COMPLEX(ISOMERASE-KINASE) COMPLEX
Ref.: REFINED STRUCTURE OF THE FKBP12-RAPAMYCIN-FRB TERNA COMPLEX AT 2.2 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 55 736 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RAD A:108;
 Valid;
 none;
 submit data
928.198 C52 H81 N O13 CCO[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FAP 1.85 Å EC: 5.2.1.8 ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP HOMO SAPIENS FKBP12 FRAP RAPAMYCIN COMPLEX GENE THERAPY CELL CYCLE
Ref.: REFINED STRUCTURE OF THE FKBP12-RAPAMYCIN-FRB TERNARY COMPLEX AT 2.2 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 55 736 1999
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3FAP - ARD C55 H81 N O12 S Cc1ccc(s1)....
2 6M4U - RAP C51 H79 N O13 C[C@@H]1CC....
3 1NSG - RAD C52 H81 N O13 CCO[C@H]1C....
4 2FAP - RAD C52 H81 N O13 CCO[C@H]1C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3FAP - ARD C55 H81 N O12 S Cc1ccc(s1)....
2 6M4U - RAP C51 H79 N O13 C[C@@H]1CC....
3 1NSG - RAD C52 H81 N O13 CCO[C@H]1C....
4 2FAP - RAD C52 H81 N O13 CCO[C@H]1C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5GPG - RAP C51 H79 N O13 C[C@@H]1CC....
2 3FAP - ARD C55 H81 N O12 S Cc1ccc(s1)....
3 6M4U - RAP C51 H79 N O13 C[C@@H]1CC....
4 1NSG - RAD C52 H81 N O13 CCO[C@H]1C....
5 2FAP - RAD C52 H81 N O13 CCO[C@H]1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RAD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RAD 1 1
2 RAP 0.912162 0.96875
3 ARD 0.792683 0.873239
Similar Ligands (3D)
Ligand no: 1; Ligand: RAD; 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 : 3FAP; Ligand: ARD; 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: 3fap.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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