Ligand

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Ligand Name:   6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
HET ID:   TNK PubChem:   446515
DrugBank:   DB08634 ChEMBL:   CHEMBL436546
Canonical SMILES:   CC(c1c(=O)[nH]c(=O)n(c1Cc1ccccc1)COCc1ccccc1)C
Standard InChI:   InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
Molecular Formula:   C22H24N2O3 Mol. Weight:   364.43756 Heavy Atoms:   27
Charge:   0 Is Chiral:   False logP:   3.4251
HBD:   1 HBA:   4 TPSA:   64.09
#Bonds:   30 #Rotatable Bonds:   7 Shape Complexity:   0.27272728
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Reverse transcriptase P04585 (POL_HV1H2) Human immunodeficiency virus type 1 group M subtype B 1S1V IC50 : 6.0 nM BindingDB SHOW