SEQ2FUN

BioLiP

PDB CCD ID: FCD
Number of entries in BioLiP: 3
Chemical formula: C11 H7 Cl O3
InChI: InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey: PJGGWIHXGHQXMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c2oc(c1c(Cl)cccc1)cc2
CACTVS 3.341OC(=O)c1oc(cc1)c2ccccc2Cl
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl
Name:5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
ChEMBL: CHEMBL200238
DrugBank: DB02909
ZINC: ZINC000000280585
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).