Ligand
Ligand Name:   1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Ligand Type:   non-polymer
Ligand ID:   COVPDB144 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC[C@H](O)[C@H](O)[C@H](O)CNc1c(/N=C/C=O)c(=O)[nH]c(=O)[nH]1
Standard InChI:   InChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m1/s1
Molecular Formula:   C11H16N4O7 Mol. Weight:   316.1019 logP:   -3.5487
HBD:   7 HBA:   9
#Rotatable Bonds:   8 TPSA:   188.1

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) 4NQE 2L4
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