SEQ2FUN

BioLiP

PDB CCD ID: SW3
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N3
InChI: InChI=1S/C6H11N3/c1-5-3-6(4-7)8-9(5)2/h3H,4,7H2,1-2H3
InChIKey: JGYXJOBBROGMLL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(cc(n1C)C)CN
OpenEye OEToolkits 1.7.2Cc1cc(nn1C)CN
CACTVS 3.370Cn1nc(CN)cc1C
Name:1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
ChEMBL: CHEMBL4560352
ZINC: ZINC000000158739
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).