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BioLiP

PDB CCD ID: A1AM3
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3
InChI: InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
InChIKey: SNURKZHBZPONJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		Cn1ccc(NCc2ccccc2)n1
OpenEye OEToolkits 2.0.7Cn1ccc(n1)NCc2ccccc2
Name:N-benzyl-1-methyl-1H-pyrazol-3-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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