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BioLiP

PDB CCD ID: 47J
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N3
InChI: InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
InChIKey: DAOWQCXPMWGSBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cc(n(n1)C)CN
CACTVS 3.385Cn1nc(C)cc1CN
ACDLabs 12.01n1c(cc(n1C)CN)C
Name:1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
ChEMBL: CHEMBL4568622
ZINC: ZINC000004298933
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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