Receptor
PDB id Resolution Class Description Source Keywords
2BCD 2.1 Å EC: 3.1.3.16 X-RAY CRYSTAL STRUCTURE OF PROTEIN PHOSPHATASE-1 WITH THE MA MOTUPORIN BOUND HOMO SAPIENS PROTEIN PHOSPHTASE NATURAL PRODUCT INHIBITORS MOTUPORIN NHYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF PROTEIN PHOSPHATASE-1 BOUND T MOTUPORIN AND DIHYDROMICROCYSTIN-LA: ELUCIDATION OF MECHANISM OF ENZYME INHIBITION BY CYANOBACTERIAL TO J.MOL.BIOL. V. 356 111 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACB VAL 1ZN FGA MDH B:1;
 Valid;
 none;
 ic50 = 0.06 nM
765.905 n/a O=C([...
BME A:604;
A:605;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S C(CS)...
MN A:400;
A:401;
A:402;
A:403;
A:404;
A:405;
A:406;
A:407;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BCD 2.1 Å EC: 3.1.3.16 X-RAY CRYSTAL STRUCTURE OF PROTEIN PHOSPHATASE-1 WITH THE MA MOTUPORIN BOUND HOMO SAPIENS PROTEIN PHOSPHTASE NATURAL PRODUCT INHIBITORS MOTUPORIN NHYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF PROTEIN PHOSPHATASE-1 BOUND T MOTUPORIN AND DIHYDROMICROCYSTIN-LA: ELUCIDATION OF MECHANISM OF ENZYME INHIBITION BY CYANOBACTERIAL TO J.MOL.BIOL. V. 356 111 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1IT6 Ki = 4.1 nM CYU C50 H81 N4 O15 P C[C@H]1[C@....
2 1JK7 - OKA C44 H68 O13 C[C@@H]1CC....
3 2BCD ic50 = 0.06 nM ACB VAL 1ZN FGA MDH n/a n/a
4 2BDX - DAL LEU ACB ALA 1ZN FGA MAA n/a n/a
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: ACB VAL 1ZN FGA MDH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ACB VAL 1ZN FGA MDH 1 1
2 ACB ARG 1ZN FGA MDH 0.746154 0.814286
3 DAL LEU ACB ALA 1ZN FGA MAA 0.58042 0.966102
Similar Ligands (3D)
Ligand no: 1; Ligand: ACB VAL 1ZN FGA MDH; 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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