SEQ2FUN

BioLiP

PDB CCD ID: P1U
Number of entries in BioLiP: 3
Chemical formula: C11 H7 Cl O3
InChI: InChI=1S/C11H7ClO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey: XIPQHWUSDHTXOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1oc(cc1)c2ccc(Cl)cc2
ACDLabs 12.01OC(=O)c1ccc(o1)c1ccc(Cl)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc(o2)C(=O)O)Cl
Name:5-(4-chlorophenyl)furan-2-carboxylic acid
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).