Reaction Details
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Report a problem with these dataTarget
Cytochrome P450 family 11 subfamily B member 2
Ligand
BDBM191239
Substrate
n/a
Meas. Tech.
Aldosterone Synthase Inhibition Assay
pH
7.4±n/a
IC50
3.6±n/a nM
Comments
extracted
Citation
Balestra, M; Burke, J; Chen, Z; Cogan, D; Fader, L; Guo, X; McKibben, B; Marshall, DR; Nemoto, PA; Yu, H Aldosterone synthase inhibitors US Patent US9181272 Publication Date 11/10/2015 More Info.:
Target
Name:
Cytochrome P450 family 11 subfamily B member 2
Synonyms:
Aldosterone Synthase (CYP11B2)
Type:
n/a
Mol. Mass.:
51334.55
Organism:
Cercopithecus sabaeus
Description:
Aldeosterone synthase (CYP11B2) from frozen cynomolgus monkey adrenal gland
Residue:
451
Sequence:
MALRAKAEVCMAAPWLSLQRAQALSTRAARAPSTVLPFEAIPQRPGSRWLRLLQIWREQGYEHLHLEVHQTFQELGPIFRNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALRNKVVQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLSFLHALEVMFKSTVQLMFMPRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELALSRPQQYTGIVAELLLNAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQALRQESLAAAASISEHPQKATTELPLMRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNPALFPRPERYNPQRWLDIRGSGKNFHNVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHLQVETLTQEDIKMVYSFILRPSTFPLLTFRAIN
Inhibitor
Name:
BDBM191239
Synonyms:
US9181272, 9
Type:
Small organic molecule
Emp. Form.:
C15H16N4O2
Mol. Mass.:
284.3131
SMILES:
COc1cncc(c1)-c1cnc2N(CCCc2c1)C(N)=O
Structure:
