Ligand |
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Ligand Name: 3'D-5-OP-RU | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1253 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)/C=N/c1c([nH]c(=O)[nH]c1=O)NC[C@H](O)C[C@H](O)CO | ||
Standard InChI: InChI=1S/C12H18N4O6/c1-6(18)3-13-9-10(15-12(22)16-11(9)21)14-4-7(19)2-8(20)5-17/h3,7-8,17,19-20H,2,4-5H2,1H3,(H3,14,15,16,21,22)/b13-3+/t7-,8+/m1/s1 | ||
Molecular Formula: C12H18N4O6 | Mol. Weight: 314.12262 | logP: -2.1294 |
HBD: 6 | HBA: 8 | |
#Rotatable Bonds: 8 | TPSA: 167.87 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Major histocompatibility complex class I-related gene protein | Q95460 (HMR1_HUMAN) | Homo sapiens (Human) | 6PUL | Q81 |
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