Ligand

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Ligand Name:   4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
HET ID:   CTN PubChem:   6175
DrugBank:   DB02097 ChEMBL:   CHEMBL95606
Canonical SMILES:   OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
Standard InChI:   InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
Molecular Formula:   C9H13N3O5 Mol. Weight:   243.21661 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   -1.9818
HBD:   4 HBA:   8 TPSA:   130.83
#Bonds:   22 #Rotatable Bonds:   2 Shape Complexity:   0.5555556
Stereocomplexity:   0.44444445
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Uridine-cytidine kinase 2 Q9BZX2 (UCK2_HUMAN) Homo sapiens 1UEJ
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SHOW
7-methylguanosine phosphate-specific 5'-nucleotidase Q9W197 (5NT3B_DROME) Drosophila melanogaster 4NWI
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SHOW
Nucleotidase A0A0H2VD83 (A0A0H2VD83_ECOL6) Escherichia coli 3IVE
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SHOW