| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2E1 |
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| Ligand | BDBM50236754 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1659474 (CHEMBL4009086) |
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| IC50 | >10000±n/a nM |
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| Citation |  Nirogi, R; Shinde, A; Kambhampati, RS; Mohammed, AR; Saraf, SK; Badange, RK; Bandyala, TR; Bhatta, V; Bojja, K; Reballi, V; Subramanian, R; Benade, V; Palacharla, RC; Bhyrapuneni, G; Jayarajan, P; Goyal, V; Jasti, V Discovery and Development of 1-[(2-Bromophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dimesylate Monohydrate (SUVN-502): A Novel, Potent, Selective and Orally Active Serotonin 6 (5-HT J Med Chem60:1843-1859 (2017) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2E1 |
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| Name: | Cytochrome P450 2E1 |
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| Synonyms: | CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 56860.34 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05181 |
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| Residue: | 493 |
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| Sequence: | MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRL
AQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGP
TWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVI
ADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVA
EVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAG
TETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRF
ITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGK
FKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGC
IPPRYKLCVIPRS
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| BDBM50236754 |
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| n/a |
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| Name | BDBM50236754 |
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| Synonyms: | CHEMBL4082473 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H30BrN3O7S2 |
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| Mol. Mass. | 592.524 |
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| SMILES | O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br |
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| Structure | 
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