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BioLiP

PDB CCD ID: SJ8
Number of entries in BioLiP: 0
Chemical formula: C9 H7 F O2
InChI: InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKey: ISMMYAZSUSYVQG-ZZXKWVIFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C=Cc1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C=CC(=O)O)F
CACTVS 3.385OC(=O)/C=C/c1ccc(F)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1/C=C/C(=O)O)F
Name:(~{E})-3-(4-fluorophenyl)prop-2-enoic acid
ChEMBL: CHEMBL99526
ZINC: ZINC000002041687
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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