Reaction Details |
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Target | Bromodomain-containing protein 2 |
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Ligand | BDBM50452557 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1747752 (CHEMBL4182262) |
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Kd | 20±n/a nM |
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Citation | Shadrick, WR; Slavish, PJ; Chai, SC; Waddell, B; Connelly, M; Low, JA; Tallant, C; Young, BM; Bharatham, N; Knapp, S; Boyd, VA; Morfouace, M; Roussel, MF; Chen, T; Lee, RE; Kiplin Guy, R; Shelat, AA; Potter, PM Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg Med Chem26:25-36 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Bromodomain-containing protein 2 |
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Name: | Bromodomain-containing protein 2 |
Synonyms: | BRD2 | BRD2_HUMAN | Bromodomain and extra-terminal motif (BET) | Bromodomain-containing protein 2 | Bromodomain-containing protein 2 (BRD2) | KIAA9001 | RING3 |
Type: | Protein |
Mol. Mass.: | 88085.95 |
Organism: | Homo sapiens (Human) |
Description: | P25440 |
Residue: | 801 |
Sequence: | MLQNVTPHNKLPGEGNAGLLGLGPEAAAPGKRIRKPSLLYEGFESPTMASVPALQLTPAN
PPPPEVSNPKKPGRVTNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQP
MDMGTIKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFLQKVASM
PQEEQELVVTIPKNSHKKGAKLAALQGSVTSAHQVPAVSSVSHTALYTPPPEIPTTVLNI
PHPSVISSPLLKSLHSAGPPLLAVTAAPPAQPLAKKKGVKRKADTTTPTPTAILAPGSPA
SPPGSLEPKAARLPPMRRESGRPIKPPRKDLPDSQQQHQSSKKGKLSEQLKHCNGILKEL
LSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRL
MFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPDEPLEPGPLPVSTAMPPGLAKSSSES
SSEESSSESSSEEEEEEDEEDEEEEESESSDSEEERAHRLAELQEQLRAVHEQLAALSQG
PISKPKRKREKKEKKKKRKAEKHRGRAGADEDDKGPRAPRPPQPKKSKKASGSGGGSAAL
GPSGFGPSGGSGTKLPKKATKTAPPALPTGYDSEEEEESRPMSYDEKRQLSLDINKLPGE
KLGRVVHIIQAREPSLRDSNPEEIEIDFETLKPSTLRELERYVLSCLRKKPRKPYTIKKP
VGKTKEELALEKKRELEKRLQDVSGQLNSTKKPPKKANEKTESSSAQQVAVSRLSASSSS
SDSSSSSSSSSSSDTSDSDSG
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BDBM50452557 |
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n/a |
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Name | BDBM50452557 |
Synonyms: | CHEMBL4206677 | US11028051, Cmpd 55 |
Type | Small organic molecule |
Emp. Form. | C20H25N3O3 |
Mol. Mass. | 355.4308 |
SMILES | CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1cc[nH]c1 |r| |
Structure |
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