Ligand

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Ligand Name:   N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
HET ID:   S3O PubChem:   146018719
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)Nc1cc2NCCCc2c(n1)c1cccc(c1C)C
Standard InChI:   InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22)
Molecular Formula:   C18H21N3O Mol. Weight:   295.37885 Heavy Atoms:   22
Charge:   0 Is Chiral:   False logP:   3.8929
HBD:   2 HBA:   4 TPSA:   54.02
#Bonds:   24 #Rotatable Bonds:   3 Shape Complexity:   0.33333334
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
7,8-dihydro-8-oxoguanine triphosphatase P36639 (8ODP_HUMAN) Homo sapiens 6US2
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