SEQ2FUN

BioLiP

PDB CCD ID: 4MA
Number of entries in BioLiP: 8
Chemical formula: C8 H8 O2
InChI: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey: LPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)C(=O)O
CACTVS 3.341Cc1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(cc1)C
Name:4-METHYLBENZOIC ACID;
P-METHYLBENZOIC ACID
ChEMBL: CHEMBL21708
ZINC: ZINC000000330134
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).