BioLiP

PDB

BioLiP

PDB CCD ID:

JNL

Number of entries in BioLiP:

Chemical formula:

C18 H18 N4 O2

InChI:

InChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23)

InChIKey:

SUIPENOZJSBAFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1
ACDLabs 12.01	COc1cccc(c1)NC(=O)Nc1cc2nc(C)c(C)nc2cc1
OpenEye OEToolkits 2.0.7	Cc1c(nc2cc(ccc2n1)NC(=O)Nc3cccc(c3)OC)C

Name:

N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea

ChEMBL:

CHEMBL1587056

ZINC:

ZINC000000780577

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).