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Target
Steroid Delta-isomerase
Ligand
BDBM50375599
Substrate
n/a
Meas. Tech.
ChEMBL_941590 (CHEMBL2330672)
Kd
16000±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:
BDBM50375599
Synonyms:
DEOXYCHOLATE | Deoxycholic Acid | KYBELLA
Type:
Small organic molecule
Emp. Form.:
C24H40O4
Mol. Mass.:
392.572
SMILES:
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Structure:
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