| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-hexosaminidase subunit alpha/beta |
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| Ligand | BDBM18512 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1496351 (CHEMBL3579955) |
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| IC50 | 15000±n/a nM |
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| Citation |  Tropak, MB; Zhang, J; Yonekawa, S; Rigat, BA; Aulakh, VS; Smith, MR; Hwang, HJ; Ciufolini, MA; Mahuran, DJ Pyrimethamine Derivatives: Insight into Binding Mechanism and Improved Enhancement of Mutantß-N-acetylhexosaminidase Activity. J Med Chem58:4483-93 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-hexosaminidase subunit alpha/beta |
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| Name: | Beta-hexosaminidase subunit alpha/beta |
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| Synonyms: | Beta-N-acetyl-D-hexosaminidase-A/B |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1496351 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Beta-hexosaminidase subunit alpha |
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| Synonyms: | Beta-N-acetylhexosaminidase subunit alpha | Beta-hexosaminidase subunit alpha (HexA) | HEXA | HEXA_HUMAN |
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| Type: | Protein |
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| Mol. Mass.: | 60688.46 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P06865 |
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| Residue: | 529 |
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| Sequence: | MTSSRLWFSLLLAAAFAGRATALWPWPQNFQTSDQRYVLYPNNFQFQYDVSSAAQPGCSV
LDEAFQRYRDLLFGSGSWPRPYLTGKRHTLEKNVLVVSVVTPGCNQLPTLESVENYTLTI
NDDQCLLLSETVWGALRGLETFSQLVWKSAEGTFFINKTEIEDFPRFPHRGLLLDTSRHY
LPLSSILDTLDVMAYNKLNVFHWHLVDDPSFPYESFTFPELMRKGSYNPVTHIYTAQDVK
EVIEYARLRGIRVLAEFDTPGHTLSWGPGIPGLLTPCYSGSEPSGTFGPVNPSLNNTYEF
MSTFFLEVSSVFPDFYLHLGGDEVDFTCWKSNPEIQDFMRKKGFGEDFKQLESFYIQTLL
DIVSSYGKGYVVWQEVFDNKVKIQPDTIIQVWREDIPVNYMKELELVTKAGFRALLSAPW
YLNRISYGPDWKDFYIVEPLAFEGTPEQKALVIGGEACMWGEYVDNTNLVPRLWPRAGAV
AERLWSNKLTSDLTFAYERLSHFRCELLRRGVQAQPLNVGFCEQEFEQT
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| Component 2 |
| Name: | Beta-hexosaminidase subunit beta |
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| Synonyms: | Beta-N-acetylhexosaminidase subunit beta | Beta-hexosaminidase subunit beta | Beta-hexosaminidase subunit beta (Hex B) | HEXB | HEXB_HUMAN | Hexosaminidase subunit B |
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| Type: | Enzyme |
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| Mol. Mass.: | 63112.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07686 |
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| Residue: | 556 |
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| Sequence: | MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLP
LLVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQA
KTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVY
QDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVD
DQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGK
GQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKC
WESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTI
VEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQL
FIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERG
IAAQPLYAGYCNHENM
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| BDBM18512 |
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| n/a |
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| Name | BDBM18512 |
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| Synonyms: | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | US11530198, Example Pyrimethamine | cid_4993 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H13ClN4 |
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| Mol. Mass. | 248.711 |
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| SMILES | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 |
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| Structure | 
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