Ligand

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Ligand Name:   6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
HET ID:   BS0 PubChem:   9174149
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C1CCc2c(N1)ccc(c2)c1csc(n1)COc1ccccc1
Standard InChI:   InChI=1S/C19H16N2O2S/c22-18-9-7-13-10-14(6-8-16(13)20-18)17-12-24-19(21-17)11-23-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11H2,(H,20,22)
Molecular Formula:   C19H16N2O2S Mol. Weight:   336.40753 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   4.4118
HBD:   1 HBA:   5 TPSA:   79.46
#Bonds:   27 #Rotatable Bonds:   4 Shape Complexity:   0.15789473
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Metallo-beta-lactamase type 2 P52699 (BLAB_SERMA) Serratia marcescens 6JKA
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