BioLiP

PDB

BioLiP

PDB CCD ID:

JV5

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4 O2

InChI:

InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)

InChIKey:

VIBQPIOMWNLUQT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3
CACTVS 3.385	Cc1ccccc1OCC(=O)Nc2ccc3[nH]nnc3c2

Name:

~{N}-(1~{H}-benzotriazol-5-yl)-2-(2-methylphenoxy)ethanamide

ChEMBL:

CHEMBL4439414

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).