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BioLiP

PDB CCD ID: Q2I
Number of entries in BioLiP: 3
Chemical formula: C5 H9 N3
InChI: InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3
InChIKey: XNTFQMKXUFFUQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nccc1CN
ACDLabs 12.01NCc1ccnn1C
OpenEye OEToolkits 2.0.7Cn1c(ccn1)CN
Name:1-(1-methyl-1H-pyrazol-5-yl)methanamine
ZINC: ZINC000002559428
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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