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BioLiP

PDB CCD ID: FC3
Number of entries in BioLiP: 1
Chemical formula: C12 H7 F3 O3
InChI: InChI=1S/C12H7F3O3/c13-12(14,15)8-4-2-1-3-7(8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)
InChIKey: IJPNRBZMRINMMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F
ACDLabs 10.04O=C(O)c2oc(c1c(cccc1)C(F)(F)F)cc2
CACTVS 3.341OC(=O)c1oc(cc1)c2ccccc2C(F)(F)F
Name:5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID
ChEMBL: CHEMBL200377
DrugBank: DB07759
ZINC: ZINC000000349812
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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