Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50444550
Substrate
n/a
Meas. Tech.
ChEMBL_1281888 (CHEMBL3101041)
IC50
0.400000±n/a nM
Citation
 Meredith, ELKsander, GMonovich, LGPapillon, JPLiu, QMiranda, KMorris, PRao, CBurgis, RCapparelli, MHu, QYSingh, ARigel, DFJeng, AYBeil, MFu, FHu, CWLaSala, D Discovery and in Vivo Evaluation of Potent Dual CYP11B2 (Aldosterone Synthase) and CYP11B1 Inhibitors. ACS Med Chem Lett 4:1203-7 (2013) [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:
BDBM50444550
Synonyms:
CHEMBL3099704
Type:
Small organic molecule
Emp. Form.:
C21H18FN3
Mol. Mass.:
331.3861
SMILES:
Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCCCc2cncn12)C#N |r|
Structure:
Search PDB for entries with ligand similarity: