SEQ2FUN

BioLiP

PDB CCD ID: 4PZ
Number of entries in BioLiP: 2
Chemical formula: C4 H6 N2
InChI: InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKey: RIKMMFOAQPJVMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		Cc1c[nH]nc1
ACDLabs 10.04n1cc(cn1)C
Name:4-methyl-1H-pyrazole
ChEMBL: CHEMBL1308
DrugBank: DB01213
ZINC: ZINC000000897288
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).