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Target
Steroid Delta-isomerase
Ligand
BDBM50427553
Substrate
n/a
Meas. Tech.
ChEMBL_941591 (CHEMBL2330673)
Kd
46000±n/a nM
Citation
 Kobe, A; Caaveiro, JM; Tashiro, S; Kajihara, D; Kikkawa, M; Mitani, T; Tsumoto, K Incorporation of rapid thermodynamic data in fragment-based drug discovery. J Med Chem 56:2155-9 (2013) [PubMed]  Article 
Target
Name:
Steroid Delta-isomerase
Synonyms:
Delta(5)-3-ketosteroid isomerase | SDIS_PSEPU | ksi
Type:
PROTEIN
Mol. Mass.:
14529.85
Organism:
Pseudomonas putida
Description:
ChEMBL_941591
Residue:
131
Sequence:
MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEDPFGQPPIHGREQIAAFYRQGLGGGKVRACLTGPVRASHNGCGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYWSEVNLSVREPQ
  
Inhibitor
Name:
BDBM50427553
Synonyms:
CHEMBL1338939
Type:
Small organic molecule
Emp. Form.:
C8H7F3N2O
Mol. Mass.:
204.1492
SMILES:
NC(=O)Nc1cccc(c1)C(F)(F)F
Structure:
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