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BioLiP

PDB CCD ID: H2M
Number of entries in BioLiP: 1
Chemical formula: C17 H12 F3 N O
InChI: InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2
InChIKey: AIIYIYPODZMVSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O
CACTVS 3.385FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O
ACDLabs 12.01c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F
Name:1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
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)(download the PDF file).
  • 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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