SEQ2FUN

BioLiP

PDB CCD ID: GRV
Number of entries in BioLiP: 2
Chemical formula: C13 H17 N3 O
InChI: InChI=1S/C13H17N3O/c1-9(2)8-14-13(17)12-10(3)15-11-6-4-5-7-16(11)12/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKey: QQNPIZGIGPGFPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CNC(=O)c1n2ccccc2nc1C
OpenEye OEToolkits 2.0.6Cc1c(n2ccccc2n1)C(=O)NCC(C)C
Name:2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
ChEMBL: CHEMBL1381910
ZINC: ZINC000000217162
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).