BioLiP

PDB

BioLiP

PDB CCD ID:

F4G

Number of entries in BioLiP:

Chemical formula:

C13 H10 N4 O

InChI:

InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)

InChIKey:

WEFADYMRJJMXCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
OpenEye OEToolkits 2.0.6	c1cc(cnc1)c2cnc3n2cccc3C(=O)N
CACTVS 3.385	NC(=O)c1cccn2c(cnc12)c3cccnc3

Name:

3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide

ChEMBL:

CHEMBL4091092

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).