BioLiP

PDB

BioLiP

PDB CCD ID:

WW0

Number of entries in BioLiP:

Chemical formula:

C12 H16 N4 O2

InChI:

InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18)

InChIKey:

YCKAXCQPMUENML-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC(CC)NC(=O)c1ccnc2c1nc([nH]2)O
CACTVS 3.385	CCC(CC)NC(=O)c1ccnc2[nH]c(O)nc12
ACDLabs 12.01	CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12

Name:

2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide

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).