SEQ2FUN

BioLiP

PDB CCD ID: SW7
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O
InChI: InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey: UHBGYFCCKRAEHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)C(N)=O
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)C(=O)N
Name:4-methylbenzamide
ChEMBL: CHEMBL3247924
ZINC: ZINC000000080859
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).