Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50565928 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2094142 (CHEMBL4775405) |
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IC50 | >30000±n/a nM |
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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 Chem64:326-342 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2D6 |
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Name: | Cytochrome P450 2D6 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50565928 |
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n/a |
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Name | BDBM50565928 |
Synonyms: | CHEMBL4785484 |
Type | Small organic molecule |
Emp. Form. | C21H16F2N4O3 |
Mol. Mass. | 410.3735 |
SMILES | C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r| |
Structure |
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