Ligand
Ligand Name:   N-(2-sulfanylethyl)benzamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB554 PubChem:   11309882
Synonym(s):  
  •   73721-89-8
  • n-(2-mercaptoethyl)benzamide
  • n-2-mercaptoethyl benz-amide
  • schembl3122604
  • q27458381
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1738771
Canonical SMILES:   c1ccccc1C(=O)NCCS
Standard InChI:   InChI=1S/C9H11NOS/c11-9(10-6-7-12)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
Molecular Formula:   C9H11NOS Mol. Weight:   181.05614 logP:   1.3462
HBD:   2 HBA:   2
#Rotatable Bonds:   3 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) 3M2Z BFE
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