Receptor
PDB id Resolution Class Description Source Keywords
1U32 2 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF A PROTEIN PHOSPHATASE-1: CALCINEURIN HYBRID BOUND TO OKADAIC ACID HOMO SAPIENS HYDROLASE
Ref.: CRYSTAL STRUCTURE AND MUTAGENESIS OF A PROTEIN PHOSPHATASE-1:CALCINEURIN HYBRID ELUCIDATE THE ROLE OF THE {BETA}12-{BETA}13 LOOP IN INHIBITOR BINDING J.BIOL.CHEM. V. 279 43198 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:301;
A:302;
A:303;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
78.133 C2 H6 O S C(CS)...
MN A:400;
A:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
OKA A:501;
 Valid;
 none;
 ic50 = 97 nM
805.003 C44 H68 O13 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E7A 1.63 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF PROTEIN PHOSPHATASE-1 BOUND TO THE NATU NODULARIN-R HOMO SAPIENS CARBOHYDRATE METABOLISM CELL CYCLE CELL DIVISION GLYCOGENMETABOLISM HYDROLASE IRON MANGANESE METAL-BINDING PHOSPHOPROTEIN PROTEIN PHOSPHATASE HYDROLASE-HYDROLASE INCOMPLEX
Ref.: CRYSTAL STRUCTURES OF PROTEIN PHOSPHATASE-1 BOUND T NODULARIN-R AND TAUTOMYCIN: A NOVEL SCAFFOLD FOR STRUCTURE-BASED DRUG DESIGN OF SERINE/THREONINE PHO INHIBITORS J.MOL.BIOL. V. 385 11 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3E7B ic50 = 0.16 nM E7B C41 H68 O14 C[C@@H]1CC....
2 3E7A ic50 = 0.1 nM ACB ARG 1ZN FGA MDH n/a n/a
3 1U32 ic50 = 97 nM OKA C44 H68 O13 C[C@@H]1CC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3E7B ic50 = 0.16 nM E7B C41 H68 O14 C[C@@H]1CC....
2 3E7A ic50 = 0.1 nM ACB ARG 1ZN FGA MDH n/a n/a
3 1U32 ic50 = 97 nM OKA C44 H68 O13 C[C@@H]1CC....
4 1IT6 Ki = 4.1 nM CYU C50 H81 N4 O15 P C[C@H]1[C@....
5 1JK7 - OKA C44 H68 O13 C[C@@H]1CC....
6 2BCD ic50 = 0.06 nM ACB VAL 1ZN FGA MDH n/a n/a
7 2BDX - DAL LEU ACB ALA 1ZN FGA MAA n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3E7B ic50 = 0.16 nM E7B C41 H68 O14 C[C@@H]1CC....
2 3E7A ic50 = 0.1 nM ACB ARG 1ZN FGA MDH n/a n/a
3 1U32 ic50 = 97 nM OKA C44 H68 O13 C[C@@H]1CC....
4 1IT6 Ki = 4.1 nM CYU C50 H81 N4 O15 P C[C@H]1[C@....
5 1JK7 - OKA C44 H68 O13 C[C@@H]1CC....
6 2BCD ic50 = 0.06 nM ACB VAL 1ZN FGA MDH n/a n/a
7 2BDX - DAL LEU ACB ALA 1ZN FGA MAA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OKA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 OKA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: OKA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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