SEQ2FUN

BioLiP

PDB CCD ID: 6P4
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N4
InChI: InChI=1S/C12H12N4/c1-8-3-4-11-14-9(2)12(16(11)7-8)10-5-6-13-15-10/h3-7H,1-2H3,(H,13,15)
InChIKey: FLABUTFVIDAMFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccc2nc(c(n2c1)c3ccn[nH]3)C
CACTVS 3.385Cc1ccc2nc(C)c(n2c1)c3[nH]ncc3
ACDLabs 12.01c1cnnc1c3n2cc(ccc2nc3C)C
Name:2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
ChEMBL: CHEMBL4782173
ZINC: ZINC000006694406
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).