Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B95OQD
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| Binder Name |
2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-tetrahydro-furan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl}-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
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| Synonyms |
CHEMBL3144213; thvmidvlate svnthase inhibitor 2c; BDBM50028109; CID44292651
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C31H39N8O14P
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| Canonical SMILES |
COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CN3C(CCC4=C3C(=O)NC(=N4)N)CNC5=CC=C(C=C5)C(=O)NC(CCC(=O)O)C(=O)O)O
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| InChI |
1S/C31H39N8O14P/c1-51-54(49,50)52-14-22-21(40)10-23(53-22)39-13-16(27(44)37-31(39)48)12-38-18(6-7-19-25(38)28(45)36-30(32)35-19)11-33-17-4-2-15(3-5-17)26(43)34-20(29(46)47)8-9-24(41)42/h2-5,13,18,20-23,33,40H,6-12,14H2,1H3,(H,34,43)(H,41,42)(H,46,47)(H,49,50)(H,37,44,48)(H3,32,35,36,45)/t18?,20?,21-,22+,23+/m0/s1
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| InChIKey |
YYLMJAXJQNLSCC-VIKOFABESA-N
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| PubChem Compound ID | ||||
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