Ligand

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Ligand Name:   5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile
HET ID:   7N1 PubChem:   118006011
DrugBank:   - ChEMBL:   CHEMBL3342991
Canonical SMILES:   N#Cc1ccc2c(c1)cc(cc2Oc1ccc(cc1OCCn1ccc(=O)[nH]c1=O)F)F
Standard InChI:   InChI=1S/C23H15F2N3O4/c24-16-2-4-19(21(11-16)31-8-7-28-6-5-22(29)27-23(28)30)32-20-12-17(25)10-15-9-14(13-26)1-3-18(15)20/h1-6,9-12H,7-8H2,(H,27,29,30)
Molecular Formula:   C23H15F2N3O4 Mol. Weight:   435.3797 Heavy Atoms:   32
Charge:   0 Is Chiral:   False logP:   3.71098
HBD:   1 HBA:   6 TPSA:   97.11
#Bonds:   36 #Rotatable Bonds:   6 Shape Complexity:   0.09090909
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Gag-Pol polyprotein P03366 (POL_HV1B1) Human immunodeficiency virus type 1 group M subtype B 5TW3
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