SEQ2FUN

BioLiP

PDB CCD ID: FC2
Number of entries in BioLiP: 1
Chemical formula: C11 H6 Cl2 O3
InChI: InChI=1S/C11H6Cl2O3/c12-6-1-2-8(13)7(5-6)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey: ATAZLMGGQQLRBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl
CACTVS 3.341OC(=O)c1oc(cc1)c2cc(Cl)ccc2Cl
ACDLabs 10.04O=C(O)c2oc(c1c(Cl)ccc(Cl)c1)cc2
Name:5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID
ChEMBL: CHEMBL370437
DrugBank: DB07758
ZINC: ZINC000000156746
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).