BioLiP

PDB

BioLiP

PDB CCD ID:

O8B

Number of entries in BioLiP:

Chemical formula:

C22 H20 N4 O2

InChI:

InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)

InChIKey:

LKAZLKLHUAIYCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4ccccc4C
CACTVS 3.370	Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc4C)cc3n2
ACDLabs 12.01	O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3)C)COc4ccccc4C

Name:

2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide

ChEMBL:

CHEMBL1612418

ZINC:

ZINC000000843683

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).