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| Ligand ID | ME8 |
| InChI | InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(24)29-30(25,26)27-4-8-10(22)11(23)14(28-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 |
| InChIKey | RZQLXQQLNKBFRX-TWBCTODHSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.352 | CSCC[C@H](N)C(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 | | OpenEye OEToolkits 1.7.0 | CSCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)N | | OpenEye OEToolkits 1.7.0 | CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N | | ACDLabs 11.02 | O=P(OC(=O)C(N)CCSC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | CACTVS 3.352 | CSCC[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
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| Formula | C15 H23 N6 O8 P S |
| Name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate;
L-methionine-AMP;
methionyl-adenylate |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000013536715
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| PDB chain | 5xet Chain C Residue 601
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[Download structure with residue number starting from 1]
[View ligand structure]
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