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| Ligand ID | UG9 |
| InChI | InChI=1S/C15H20IN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1 |
| InChIKey | KWPUSSSCXHTEIW-TWBCTODHSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cc(I)c3c(N)ncnc23)C(O)=O | | OpenEye OEToolkits 2.0.7 | c1c(c2c(ncnc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)I | | OpenEye OEToolkits 2.0.7 | c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)I | | CACTVS 3.385 | N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(I)c3c(N)ncnc23)C(O)=O |
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| Formula | C15 H20 I N5 O5 S |
| Name | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8cev Chain B Residue 401
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