Attributes
UniProt ID
Protein Name
Aldo-keto reductase family 1 member B1
Ligand Name
3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BCSVCWVQNOXFGL-UHFFFAOYSA-N
SMILES
c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 1MAR
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Color Legend
Unassigned regionsLigand / hetero atomse1marA1
ECOD domains from experimental PDB structures interacting with ligand DB08772
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P15121 | DB08772 | ZST | 1mar | e1marA1 | A:1-313 |
| P15121 | DB08772 | ZST | 2dux | e2duxA1 | A:1-313 |
| P15121 | DB08772 | ZST | 2duz | e2duzA1 | A:1-313 |
| P15121 | DB08772 | ZST | 2dv0 | e2dv0A1 | A:2-313 |
| P15121 | DB08772 | ZST | 2fz8 | e2fz8A1 | A:1-313 |
| P15121 | DB08772 | ZST | 2fz9 | e2fz9A1 | A:1-313 |
| P15121 | DB08772 | ZST | 2hv5 | e2hv5A1 | A:2-313 |
| P15121 | DB08772 | ZST | 2hvn | e2hvnA1 | A:1-313 |
| P15121 | DB08772 | ZST | 2hvo | e2hvoA1 | A:1-313 |
| P15121 | DB08772 | ZST | 2pd5 | e2pd5A1 | A:1-315 |
| P15121 | DB08772 | ZST | 2pdb | e2pdbA1 | A:1-315 |
| P15121 | DB08772 | ZST | 2pdf | e2pdfA1 | A:2-315 |
| P15121 | DB08772 | ZST | 2pdi | e2pdiA1 | A:1-315 |
| P15121 | DB08772 | ZST | 2pdm | e2pdmA1 | A:1-315 |
| P15121 | DB08772 | ZST | 2pdx | e2pdxA1 | A:1-312 |
| P15121 | DB08772 | ZST | 3len | e3lenA1 | A:2-315 |
| P15121 | DB08772 | ZST | 3m0i | e3m0iA1 | A:0-315 |
| P15121 | DB08772 | ZST | 3mb9 | e3mb9A1 | A:2-315 |