| Reaction Details |
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 | Report a problem with these data |
| Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
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| Ligand | BDBM50179360 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1583536 (CHEMBL3815623) |
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| Ki | 260±n/a nM |
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| Citation |  Lee, SY; Perotti, A; De Jonghe, S; Herdewijn, P; Hanck, T; Müller, CE Thiazolo[3,2-a]benzimidazol-3(2H)-one derivatives: Structure-activity relationships of selective nucleotide pyrophosphatase/phosphodiesterase1 (NPP1) inhibitors. Bioorg Med Chem24:3157-65 (2016) [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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| BDBM50179360 |
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| n/a |
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| Name | BDBM50179360 |
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| Synonyms: | CHEMBL3040216 |
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| Type | Small organic molecule |
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| Emp. Form. | C51H40N6O23S6 |
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| Mol. Mass. | 1297.28 |
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| SMILES | CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| |
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| Structure | 
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