Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BB9HC1
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| Binder Name |
NAD+ analogue
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| Synonyms |
CHEMBL3350919; CHEMBL174337; BDBM50096597
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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 |
C39H40N8O15P2
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| Canonical SMILES |
COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)COP(=O)(O)OP(=O)([O-])O[C@@H]7[C@H]([C@H]([C@@H](O7)[N+]8=CC=CC(=C8)C(=O)N)O)O)O
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| InChI |
1S/C39H40N8O15P2/c1-57-25-12-5-9-22(15-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-6-11-24(17-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-16-23-10-4-8-21-7-2-3-13-26(21)23/h2-15,17,19-20,27-28,30-32,37-39,48-50H,16,18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1
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| InChIKey |
YTHNHXPIEXZICS-CWFIGKTDSA-N
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| PubChem Compound ID | ||||
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