Covpdb









Ligand
Ligand Name:   6-iodo-UMP
Ligand Type:   non-polymer
Ligand ID:   COVPDB1411 PubChem:   16040156
Synonym(s):  
  •   chembl376454
  • schembl1364786
  • 6-iodouridine 5'-phosphoric acid
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL376454
Canonical SMILES:   O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1c(I)cc(=O)[nH]c1=O
Standard InChI:   InChI=1S/C9H12IN2O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
Molecular Formula:   C9H12IN2O9P Mol. Weight:   449.93253 logP:   -2.1303
HBD:   5 HBA:   8
#Rotatable Bonds:   4 TPSA:   171.31

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Orotidine 5'-phosphate decarboxylase Q8IJH3 (Q8IJH3_PLAF7) Plasmodium falciparum (isolate 3D7) 2QAF U5P IC50 : 4400 nM PDBBind SHOW
Orotidine 5'-phosphate decarboxylase Q8IJH3 (Q8IJH3_PLAF7) Plasmodium falciparum (isolate 3D7) 3BAR U5P Ki : 2000 nM PDBBind SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3EX3 U5P IC50 : 36000 nM PDBBind SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3EX6 U5P Ki : 220000 nM PDBBind SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 2QCN U5P IC50 : 10000 nM PDBBind SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3BGJ U5P
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