Receptor
PDB id Resolution Class Description Source Keywords
2AIB 1.1 Å NON-ENZYME: OTHER BETA-CINNAMOMIN IN COMPLEX WITH ERGOSTEROL PHYTOPHTHORA CINNAMOMI ELICITIN STEROL CARRIER PROTEIN PHYTOPHTHORA PHYTOPATHOGE
Ref.: CRYSTAL STRUCTURES OF THE FREE AND STEROL-BOUND FOR BETA-CINNAMOMIN BIOCHIM.BIOPHYS.ACTA V.1764 110 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ERG A:475;
B:476;
Valid;
Valid;
none;
none;
submit data
396.648 C28 H44 O CC(C)...
GOL B:478;
B:479;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MES A:477;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AIB 1.1 Å NON-ENZYME: OTHER BETA-CINNAMOMIN IN COMPLEX WITH ERGOSTEROL PHYTOPHTHORA CINNAMOMI ELICITIN STEROL CARRIER PROTEIN PHYTOPHTHORA PHYTOPATHOGE
Ref.: CRYSTAL STRUCTURES OF THE FREE AND STEROL-BOUND FOR BETA-CINNAMOMIN BIOCHIM.BIOPHYS.ACTA V.1764 110 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2AIB - ERG C28 H44 O CC(C)[C@@H....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
3 2AIB - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
3 2AIB - ERG C28 H44 O CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ERG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ERG 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AIB; Ligand: ERG; 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: 2aib.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AIB; Ligand: ERG; 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: 2aib.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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