Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L5KC9W
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| Ligand Name |
[[(2R,3S,4S)-5-[(4aS)-4a-[(1S)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
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| Structure |
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Download2D MOL
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| Formula |
C37H46N10O15P2
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3(N2)C(CC(=N)C)C4=CC=CC=C4)CC(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O)O)O)O
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| InChI |
1S/C37H46N10O15P2/c1-17-9-22-23(10-18(17)2)46(34-37(45-22,35(53)44-36(54)43-34)21(11-19(3)38)20-7-5-4-6-8-20)12-24(48)28(50)25(49)13-59-63(55,56)62-64(57,58)60-14-26-29(51)30(52)33(61-26)47-16-42-27-31(39)40-15-41-32(27)47/h4-10,15-16,21,24-26,28-30,33,38,45,48-52H,11-14H2,1-3H3,(H,55,56)(H,57,58)(H2,39,40,41)(H,44,53,54)/t21-,24-,25+,26+,28-,29+,30+,33+,37-/m0/s1
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| InChIKey |
OFNGKAHUSCJIPW-ORNVGUKOSA-N
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| PubChem Compound ID | ||||
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