Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM280306
Substrate
n/a
Meas. Tech.
Inhibitory Effect on hCYP11B2
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
14.0±n/a nM
Comments
extracted
Citation
 Ushirogochi, HSasaki, WOnda, YSakakibara, RAkahoshi, F Disubstituted 1, 2, 4-triazine compound US Patent  US10029993 Publication Date 7/24/2018 
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:
BDBM280306
Synonyms:
US10029993, Example 157a
Type:
Small organic molecule
Emp. Form.:
C24H29F3N6O3
Mol. Mass.:
506.5207
SMILES:
OC1C2COCC1CC(C2)NC(=O)CN1CCN(CC1)c1nncc(n1)-c1ccc(cc1)C(F)(F)F |TLB:0:1:8.7.9:4.3.5,10:8:1:4.3.5,(11.24,-7.1,;9.75,-7.5,;8.96,-6.18,;8.96,-4.64,;7.47,-4.24,;8.26,-5.56,;8.26,-7.1,;6.77,-7.5,;6,-6.16,;7.49,-6.55,;4.67,-6.93,;3.34,-6.16,;3.34,-4.62,;2,-6.93,;.67,-6.16,;-.66,-6.93,;-2,-6.16,;-2,-4.62,;-.66,-3.85,;.67,-4.62,;-3.33,-3.85,;-3.33,-2.31,;-4.66,-1.54,;-6,-2.31,;-6,-3.85,;-4.66,-4.62,;-7.33,-4.62,;-7.33,-6.16,;-8.67,-6.93,;-10,-6.16,;-10,-4.62,;-8.67,-3.85,;-11.33,-6.93,;-12.67,-6.16,;-11.33,-8.47,;-12.67,-7.7,)|
Structure:
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