BioLiP

PDB

BioLiP

PDB CCD ID:

A1BKU

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O2

InChI:

InChI=1S/C15H17N3O2/c1-10(2)8-20-13-7-5-4-6-12(13)18-15(19)14-11(3)16-9-17-14/h4-7,9H,1,8H2,2-3H3,(H,16,17)(H,18,19)

InChIKey:

SIXBZVSYBVYTRI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1c([nH]cn1)C(=O)Nc2ccccc2OCC(=C)C
CACTVS 3.385	CC(=C)COc1ccccc1NC(=O)c2[nH]cnc2C
ACDLabs 14.52	O=C(Nc1ccccc1OCC(=C)C)c1[NH]cnc1C

Name:

4-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-imidazole-5-carboxamide

ChEMBL:

CHEMBL4937210

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).