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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50378949
Substrate
n/a
Meas. Tech.
ChEMBL_809501 (CHEMBL2015356)
IC50
281±n/a nM
Citation
 Hille, UE; Zimmer, C; Haupenthal, J; Hartmann, RW Optimization of the First Selective Steroid-11ß-hydroxylase (CYP11B1) Inhibitors for the Treatment of Cortisol Dependent Diseases. ACS Med Chem Lett 2:559-564 (2011) [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:
BDBM50378949
Synonyms:
CHEMBL2011432 | US9394290, 37
Type:
Small organic molecule
Emp. Form.:
C17H13N3S
Mol. Mass.:
291.37
SMILES:
C(c1ccc(nc1)-c1cc2ccccc2s1)n1ccnc1
Structure:
Search PDB for entries with ligand similarity: