Ligand
Ligand Name:   3,3-diphenyl-N-(2-sulfanylethyl)propanamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB555 PubChem:   52914846
Synonym(s):  
  •   q27458380
  • bfg
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1738772
Canonical SMILES:   SCCNC(=O)CC(c1ccccc1)c2ccccc2
Standard InChI:   InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19)
Molecular Formula:   C17H19NOS Mol. Weight:   285.11874 logP:   3.2546
HBD:   2 HBA:   2
#Rotatable Bonds:   6 TPSA:   29.1

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Carbonic anhydrase 2 P00918 (CAH2_HUMAN) Homo sapiens (Human) 3M5T BFG
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