| Reaction Details |
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 | Report a problem with these data |
| Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
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| Ligand | BDBM50315822 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1276286 (CHEMBL3089713) |
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| Ki | 37000±n/a nM |
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| Citation |  Lecka, J; Ben-David, G; Simhaev, L; Eliahu, S; Oscar, J; Luyindula, P; Pelletier, J; Fischer, B; Senderowitz, H; Sévigny, J Nonhydrolyzable ATP analogues as selective inhibitors of human NPP1: a combined computational/experimental study. J Med Chem56:8308-20 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
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| Name: | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
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| Synonyms: | ENPP1 | ENPP1_HUMAN | M6S1 | NPPS | PC1 | PDNP1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 104934.43 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1448940 |
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| Residue: | 925 |
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| Sequence: | MERDGCAGGGSRGGEGGRAPREGPAGNGRDRGRSHAAEAPGDPQAAASLLAPMDVGEEPL
EKAARARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFGNC
RCDAACVELGNCCLDYQETCIEPEHIWTCNKFRCGEKRLTRSLCACSDDCKDKGDCCINY
SSVCQGEKSWVEEPCESINEPQCPAGFETPPTLLFSLDGFRAEYLHTWGGLLPVISKLKK
CGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPEW
YKGEPIWVTAKYQGLKSGTFFWPGSDVEINGIFPDIYKMYNGSVPFEERILAVLQWLQLP
KDERPHFYTLYLEEPDSSGHSYGPVSSEVIKALQRVDGMVGMLMDGLKELNLHRCLNLIL
ISDHGMEQGSCKKYIYLNKYLGDVKNIKVIYGPAARLRPSDVPDKYYSFNYEGIARNLSC
REPNQHFKPYLKHFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNV
FSNMQALFVGYGPGFKHGIEADTFENIEVYNLMCDLLNLTPAPNNGTHGSLNHLLKNPVY
TPKHPKEVHPLVQCPFTRNPRDNLGCSCNPSILPIEDFQTQFNLTVAEEKIIKHETLPYG
RPRVLQKENTICLLSQHQFMSGYSQDILMPLWTSYTVDRNDSFSTEDFSNCLYQDFRIPL
SPVHKCSFYKNNTKVSYGFLSPPQLNKNSSGIYSEALLTTNIVPMYQSFQVIWRYFHDTL
LRKYAEERNGVNVVSGPVFDFDYDGRCDSLENLRQKRRVIRNQEILIPTHFFIVLTSCKD
TSQTPLHCENLDTLAFILPHRTDNSESCVHGKHDSSWVEELLMLHRARITDVEHITGLSF
YQQRKEPVSDILKLKTHLPTFSQED
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| BDBM50315822 |
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| n/a |
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| Name | BDBM50315822 |
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| Synonyms: | ({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid | CHEMBL1089560 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H18F2N5O12P3S |
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| Mol. Mass. | 587.281 |
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| SMILES | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(F)(F)P(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| |
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| Structure | 
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