SEQ2FUN

BioLiP

PDB CCD ID: E02
Number of entries in BioLiP: 1
Chemical formula: C15 H12 Cl N3 O3 S
InChI: InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
InChIKey: XXDZSNJTAQNIAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)Cn2c3ccccc3nc2
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
CACTVS 3.370N[S](=O)(=O)c1cc(ccc1Cl)C(=O)Cn2cnc3ccccc23
Name:5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide
ChEMBL: CHEMBL1272187
ZINC: ZINC000064526986
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).