Ligand
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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