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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50502513
Substrate
n/a
Meas. Tech.
ChEMBL_1807730 (CHEMBL4307089)
IC50
62±n/a nM
Citation
 Sparks, SM; Danger, DP; Hoekstra, WJ; Leesnitzer, T; Schotzinger, RJ; Yates, CM; Becherer, JD Development of Highly Selective Pyrimidine-Based Aldosterone Synthase (CYP11B2) Inhibitors. ACS Med Chem Lett 10:1056-1060 (2019) [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:
BDBM50502513
Synonyms:
CHEMBL4460334
Type:
Small organic molecule
Emp. Form.:
C13H10FN3S
Mol. Mass.:
259.302
SMILES:
Fc1ccc2nc(-c3cncs3)n(C3CC3)c2c1
Structure:
Search PDB for entries with ligand similarity: