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BioLiP

PDB CCD ID: 8PQ
Number of entries in BioLiP: 1
Chemical formula: C5 H7 Br N2
InChI: InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey: RISOHYOEPYWKOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(n[nH]1)C)Br
CACTVS 3.385Cc1[nH]nc(C)c1Br
Name:4-bromanyl-3,5-dimethyl-1~{H}-pyrazole
ZINC: ZINC000000035824
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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