SEQ2FUN

BioLiP

PDB CCD ID: VRM
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h2-6H,1H3,(H,11,12)
InChIKey: CGQOLRWLPQPKLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1cc([nH]n1)c2cccnc2
ACDLabs 12.01c1(cc(C)nn1)c2cnccc2
Name:3-(3-methyl-1H-pyrazol-5-yl)pyridine
ChEMBL: CHEMBL5189272
ZINC: ZINC000039270886
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).