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Target
Steroid Delta-isomerase
Ligand
BDBM50292538
Substrate
n/a
Meas. Tech.
ChEMBL_941591 (CHEMBL2330673)
Kd
180000±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:
BDBM50292538
Synonyms:
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-ol | CHEMBL310934 | eseroline
Type:
Small organic molecule
Emp. Form.:
C13H18N2O
Mol. Mass.:
218.2948
SMILES:
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(O)cc21 |r|
Structure:
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