BioLiP

PDB

BioLiP

PDB CCD ID:

VZL

Number of entries in BioLiP:

Chemical formula:

C12 H15 N3 O

InChI:

InChI=1S/C12H15N3O/c1-9-4-3-7-15-8-11(14-12(9)15)5-6-13-10(2)16/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)

InChIKey:

YAUPVPHLZDGKRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccn2c1nc(c2)CCNC(=O)C
ACDLabs 12.01 CACTVS 3.385	CC(=O)NCCc1cn2cccc(C)c2n1

Name:

N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide

ChEMBL:

CHEMBL4540918

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).