Reaction Details
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Cytochrome P450 2C8
Ligand
BDBM50565929
Substrate
n/a
Meas. Tech.
ChEMBL_2094140 (CHEMBL4775403)
IC50
21800±n/a nM
Citation
Gopalsamy, A; Aulabaugh, AE; Barakat, A; Beaumont, KC; Cabral, S; Canterbury, DP; Casimiro-Garcia, A; Chang, JS; Chen, MZ; Choi, C; Dow, RL; Fadeyi, OO; Feng, X; France, SP; Howard, RM; Janz, JM; Jasti, J; Jasuja, R; Jones, LH; King-Ahmad, A; Knee, KM; Kohrt, JT; Limberakis, C; Liras, S; Martinez, CA; McClure, KF; Narayanan, A; Narula, J; Novak, JJ; O'Connell, TN; Parikh, MD; Piotrowski, DW; Plotnikova, O; Robinson, RP; Sahasrabudhe, PV; Sharma, R; Thuma, BA; Vasa, D; Wei, L; Wenzel, AZ; Withka, JM; Xiao, J; Yayla, HG PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J Med Chem 64:326-342 (2021) [PubMed] Article More Info.:
Target
Name:
Cytochrome P450 2C8
Synonyms:
CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase
Type:
Protein
Mol. Mass.:
55839.23
Organism:
Homo sapiens (Human)
Description:
P10632
Residue:
490
Sequence:
MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKVYGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRWKEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICSVVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALTRSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTETTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSDLVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFKKSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLPPSYQICFIPV
Inhibitor
Name:
BDBM50565929
Synonyms:
Pf-07059013
Type:
Small organic molecule
Emp. Form.:
C19H16FN5O2
Mol. Mass.:
365.361
SMILES:
C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
Structure:
