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BioLiP

PDB CCD ID: Q3F
Number of entries in BioLiP: 3
Chemical formula: C4 H7 N3
InChI: InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3
InChIKey: LBGSWBJURUFGLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1cn(C)nc1
OpenEye OEToolkits 2.0.7Cn1cc(cn1)N
CACTVS 3.385Cn1cc(N)cn1
Name:1-methyl-1H-pyrazol-4-amine
ZINC: ZINC000002552486
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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