SEQ2FUN

BioLiP

PDB CCD ID: 3C4
Number of entries in BioLiP: 25
Chemical formula: C8 H7 Cl O3
InChI: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1cc(ccc1O)CC(=O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(=O)O)Cl)O
CACTVS 3.341OC(=O)Cc1ccc(O)c(Cl)c1
Name:(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID
ChEMBL: CHEMBL592010
ZINC: ZINC000000407042
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).