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BioLiP

PDB CCD ID: UFV
Number of entries in BioLiP: 1
Chemical formula: C7 H6 Br F3 N2
InChI: InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
InChIKey: OVGAPUVMLZWQQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(cc(c(c1N)N)Br)C(F)(F)F
CACTVS 3.385Nc1cc(cc(Br)c1N)C(F)(F)F
Name:3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
ZINC: ZINC000000152846
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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