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BioLiP

PDB CCD ID: 2NM
Number of entries in BioLiP: 2
Chemical formula: C11 H9 F3 N2 O
InChI: InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKey: ZYXHXNGIOSVJRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		COc1cccc(c1)c2cc([nH]n2)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cc(nn1)c2cc(OC)ccc2
Name:3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
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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