BioLiP

PDB

BioLiP

PDB CCD ID:

NEL

Number of entries in BioLiP:

Chemical formula:

C15 H12 Cl N3 O

InChI:

InChI=1S/C15H12ClN3O/c16-11-4-1-3-10(7-11)8-15(20)18-13-5-2-6-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)

InChIKey:

CYQCEAJKJVOFMS-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3
CACTVS 3.385	Clc1cccc(CC(=O)Nc2cccc3[nH]ncc23)c1

Name:

2-(3-chlorophenyl)-N-(1H-indazol-4-yl)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).