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 |
- |
- |
SHOW |