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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50323355
Substrate
n/a
Meas. Tech.
ChEMBL_643964 (CHEMBL1211863)
IC50
0.9±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 11B2, mitochondrial
Synonyms:
Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | C11B2_HUMAN | CYP11B2 | CYPXIB2 | Cytochrome P450 11B2 | Cytochrome P450 11B2 (CYP11B2) | Cytochrome P450 11B2, mitochondrial | P-450Aldo | P-450C18 | Steroid 18-hydroxylase
Type:
Protein
Mol. Mass.:
57582.15
Organism:
Homo sapiens (Human)
Description:
P19099
Residue:
503
Sequence:
MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN
  
Inhibitor
Name:
BDBM50323355
Synonyms:
6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-(2-methoxy-2-methyl-propyl)-6,7-dihydro-5-thia-2,3a,6-triaza-indene 5,5-dioxide | CHEMBL1209693
Type:
Small organic molecule
Emp. Form.:
C18H24ClN3O3S
Mol. Mass.:
397.919
SMILES:
COC(C)(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r|
Structure:
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