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BioLiP

PDB CCD ID: FIC
Number of entries in BioLiP: 7
Chemical formula: C9 H6 F N O2
InChI: InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey: WTXBRZCVLDTWLP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)cc([nH]2)C(=O)O
CACTVS 3.341OC(=O)c1[nH]c2ccc(F)cc2c1
ACDLabs 10.04Fc1cc2c(cc1)nc(c2)C(=O)O
Name:5-fluoroindole-2-carboxylic acid
ChEMBL: CHEMBL23507
ZINC: ZINC000000083028
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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