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BioLiP

PDB CCD ID: 8KT
Number of entries in BioLiP: 0
Chemical formula: C9 H5 F3 N2 O2
InChI: InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)
InChIKey: CZPAJVBVULSLGG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1)C2(N=N2)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)O)C2(N=N2)C(F)(F)F
Name:4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid
ZINC: ZINC000022067291
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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