| PDB CCD ID: | TDI |
| Number of entries in BioLiP: | 12 |
| Chemical formula: | C13 H19 N5 O S |
| InChI: | InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1 |
| InChIKey: | NTHMDFGHOCNNOE-ZJUUUORDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N | | CACTVS 3.341 | CSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23 | | OpenEye OEToolkits 1.5.0 | CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N | | CACTVS 3.341 | CSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c(N)ncnc23 | | ACDLabs 10.04 | S(C)CC3CN(Cc2cnc1c2ncnc1N)CC3O |
|
| Name: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL;
(3R,4S)-1-[9-DEAZAADENIN-9-YL)METHYL]-3-HYDROXY-4-(METHYLTHIOMETHYL)PYRROLIDINE |
| ChEMBL: | CHEMBL405346 |
| DrugBank: | DB08606 |
| ZINC: | ZINC000011686540 |
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