BioLiP

PDB

BioLiP

PDB CCD ID:

A1CEG

Number of entries in BioLiP:

Chemical formula:

C20 H16 N4 O3

InChI:

InChI=1S/C20H16N4O3/c21-12-15-8-9-16(17(25)11-15)23-20(26)24-19-18(7-4-10-22-19)27-13-14-5-2-1-3-6-14/h1-11,25H,13H2,(H2,22,23,24,26)

InChIKey:

NFPDKHFRABMOJP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(Nc1ncccc1OCc1ccccc1)Nc1ccc(C#N)cc1O
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)COc2cccnc2NC(=O)Nc3ccc(cc3O)C#N
CACTVS 3.385	Oc1cc(ccc1NC(=O)Nc2ncccc2OCc3ccccc3)C#N

Name:

N-[3-(benzyloxy)pyridin-2-yl]-N'-(4-cyano-2-hydroxyphenyl)urea

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).