BioLiP

PDB

BioLiP

PDB CCD ID:

F1Y

Number of entries in BioLiP:

Chemical formula:

C17 H18 N4 O2

InChI:

InChI=1S/C17H18N4O2/c1-2-5-14-16(21-11-4-3-6-15(21)19-14)18-13-9-7-12(8-10-13)17(22)20-23/h3-4,6-11,18,23H,2,5H2,1H3,(H,20,22)

InChIKey:

RDGVRQVQYOOAEK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCc1nc2ccccn2c1Nc3ccc(cc3)C(=O)NO
ACDLabs 12.01	c3(ccc(Nc2c(CCC)nc1ccccn12)cc3)C(=O)NO
OpenEye OEToolkits 2.0.6	CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO

Name:

N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide

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).