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BioLiP

PDB CCD ID: A1IAV
Number of entries in BioLiP: 1
Chemical formula: C13 H10 F N O2
InChI: InChI=1S/C13H10FNO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H,16,17)
InChIKey: LABCZPMWKVNMCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc(c(c2)C(=O)O)N)F
CACTVS 3.385Nc1ccc(cc1C(O)=O)c2ccc(F)cc2
Name:2-azanyl-5-(4-fluorophenyl)benzoic acid;
2-amino-5-(4-fluorophenyl)benzoic acid
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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