Receptor
PDB id Resolution Class Description Source Keywords
2PSJ 1.8 Å EC: 1.13.12.5 CRYSTAL STRUCTURES OF THE LUCIFERASE AND GREEN FLUORESCENT P FROM RENILLA RENIFORMIS RENILLA RENIFORMIS ALPHA/BETA-HYDROLASE LUCIFERASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF THE LUCIFERASE AND GREEN FLUO PROTEIN FROM RENILLA RENIFORMIS. J.MOL.BIOL. V. 374 1017 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CEI A:501;
B:502;
Valid;
Valid;
none;
none;
Ki ~ 20 nM
411.453 C25 H21 N3 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PSJ 1.8 Å EC: 1.13.12.5 CRYSTAL STRUCTURES OF THE LUCIFERASE AND GREEN FLUORESCENT P FROM RENILLA RENIFORMIS RENILLA RENIFORMIS ALPHA/BETA-HYDROLASE LUCIFERASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF THE LUCIFERASE AND GREEN FLUO PROTEIN FROM RENILLA RENIFORMIS. J.MOL.BIOL. V. 374 1017 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PSJ Ki ~ 20 nM CEI C25 H21 N3 O3 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 2PSJ Ki ~ 20 nM CEI C25 H21 N3 O3 c1ccc(cc1)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4F5Z - BEZ C7 H6 O2 c1ccc(cc1)....
2 4C6H - HE2 C6 H14 O CCCCCCO
3 2PSJ Ki ~ 20 nM CEI C25 H21 N3 O3 c1ccc(cc1)....
4 1K6E - 1BP C3 H7 Br O C[C@H](CBr....
5 2BFN - D2P C3 H6 Cl2 O C([C@@H](C....
6 1G42 Ki = 0.97 mM CP2 C3 H6 Cl2 C[C@@H](CC....
7 1G5F Ki = 2.31 mM DCE C2 H4 Cl2 C(CCl)Cl
8 1K63 - BRP C3 H5 Br O C=C(CO)Br
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CEI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CEI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CEI; 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 : 2PSJ; Ligand: CEI; 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: 2psj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PSJ; Ligand: CEI; 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: 2psj.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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