BioLiP

PDB

BioLiP

PDB CCD ID:

OE6

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl N4 O

InChI:

InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20)

InChIKey:

OYXJREXTFZDGLT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl
CACTVS 3.385	Clc1cccc(CC(=O)Nn2nnc3ccccc23)c1
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21

Name:

N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide

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).