Ligand
Ligand Name:   6-acetyl-UMP
Ligand Type:   non-polymer
Ligand ID:   COVPDB1414 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)c1cc(=O)[nH]c(=O)n1[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O
Standard InChI:   InChI=1S/C11H15N2O10P/c1-4(14)5-2-7(15)12-11(18)13(5)10-9(17)8(16)6(23-10)3-22-24(19,20)21/h2,6,8-10,16-17H,3H2,1H3,(H,12,15,18)(H2,19,20,21)/p-2/t6-,8-,9-,10-/m1/s1
Molecular Formula:   C11H13N2O10P-2 Mol. Weight:   364.0319 logP:   -3.7963
HBD:   3 HBA:   11
#Rotatable Bonds:   5 TPSA:   194.04

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3EWU UEP IC50 : 24000 nM PDBBind SHOW