SEQ2FUN

BioLiP

PDB CCD ID: 8QM
Number of entries in BioLiP: 1
Chemical formula: C10 H10 O2
InChI: InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)
InChIKey: GJCRWEAWEDESNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1)C2CC2
ACDLabs 12.01C2(c1ccc(C(O)=O)cc1)CC2
OpenEye OEToolkits 2.0.6c1cc(ccc1C2CC2)C(=O)O
Name:4-cyclopropylbenzoic acid
ZINC: ZINC000001270438
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).