|
| Ligand ID | QEI |
| InChI | InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 |
| InChIKey | WYROLENTHWJFLR-ACLDMZEESA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O | | CACTVS 3.341 | NC1=Nc2[nH]cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2C(=O)N1 | | OpenEye OEToolkits 1.5.0 | c1c(c2c([nH]1)N=C(NC2=O)N)CNC3C=CC(C3O)O | | CACTVS 3.341 | NC1=Nc2[nH]cc(CN[CH]3C=C[CH](O)[CH]3O)c2C(=O)N1 | | ACDLabs 10.04 | O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O |
|
| Formula | C12 H15 N5 O3 |
| Name | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
queuine |
| ChEMBL | |
| DrugBank | DB14732 |
| ZINC | ZINC000006622451
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| PDB chain | 8dl3 Chain B Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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