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| Ligand ID | FNR |
| InChI | InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1 |
| InChIKey | YTNIXZGTHTVJBW-SCRDCRAPSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1cc2NC3=C(NC(=O)NC3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C | | OpenEye OEToolkits 1.7.6 | Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O | | OpenEye OEToolkits 1.7.6 | Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O | | CACTVS 3.385 | Cc1cc2NC3=C(NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | | ACDLabs 12.01 | c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O |
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| Formula | C17 H23 N4 O9 P |
| Name | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL;
TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 9fih Chain B Residue 502
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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