SEQ2FUN

BioLiP

PDB CCD ID: WCE
Number of entries in BioLiP: 4
Chemical formula: C7 H6 Cl N O
InChI: InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey: MJTGQALMWUUPQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Cl)C(=O)N
CACTVS 3.385NC(=O)c1cccc(Cl)c1
ACDLabs 12.01O=C(c1cc(Cl)ccc1)N
Name:3-CHLORO-BENZAMIDE
ChEMBL: CHEMBL419245
ZINC: ZINC000000153113
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).