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BioLiP

PDB CCD ID: Y7X
Number of entries in BioLiP: 1
Chemical formula: C11 H7 Br F3 N3
InChI: InChI=1S/C11H7BrF3N3/c12-9-10(16)17-5-8(18-9)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17)
InChIKey: SHQIPPUSGCYKMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Brc1nc(cnc1N)c1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1c2cnc(c(n2)Br)N)C(F)(F)F
CACTVS 3.385Nc1ncc(nc1Br)c2ccc(cc2)C(F)(F)F
Name:3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
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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