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Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM50323345
Substrate
n/a
Meas. Tech.
ChEMBL_643965 (CHEMBL1211864)
IC50
544±n/a nM
Citation
 Adams, CM; Hu, CW; Jeng, AY; Karki, R; Ksander, G; Lasala, D; Leung-Chu, J; Liang, G; Liu, Q; Meredith, E; Rao, C; Rigel, DF; Shi, J; Smith, S; Springer, C; Zhang, C The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-beta-hydroxylase. Bioorg Med Chem Lett 20:4324-7 (2010) [PubMed]  Article 
Target
Name:
Cytochrome P450 11B1, mitochondrial
Synonyms:
C11B1_HUMAN | CYP11B1 | CYPXIB1 | Cytochrome P450 11B, mitochondrial precursor | Cytochrome P450 11B1 | Cytochrome P450 11B1 (CYP11B1) | Cytochrome P450 11B1, mitochondrial | S11BH
Type:
Enzyme
Mol. Mass.:
57591.44
Organism:
Homo sapiens (Human)
Description:
P15538
Residue:
503
Sequence:
MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWLRLLQIWREQGYEDLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLHPHRMSLEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPEVLSPNAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFSRPQQYTSIVAELLLNAELSPDAIKANSMELTAGSVDTTVFPLLMTLFELARNPNVQQALRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVASSDLVLQNYHIPAGTLVRVFLYSLGRNPALFPRPERYNPQRWLDIRGSGRNFYHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHLQVETLTQEDIKMVYSFILRPSMFPLLTFRAIN
  
Inhibitor
Name:
BDBM50323345
Synonyms:
4-Isobutyl-6-(4-trifluoromethoxy-benzyl)-6,7-dihydro-5-thia-2,3a,6-triaza-indene 5,5-dioxide | CHEMBL1209555
Type:
Small organic molecule
Emp. Form.:
C17H20F3N3O3S
Mol. Mass.:
403.419
SMILES:
CC(C)CC1n2cncc2CN(Cc2ccc(OC(F)(F)F)cc2)S1(=O)=O
Structure:
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