BioLiP

PDB

BioLiP

PDB CCD ID:

LHR

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3 O

InChI:

InChI=1S/C9H9N3O/c1-6(13)11-8-3-2-7-5-10-12-9(7)4-8/h2-5H,1H3,(H,10,12)(H,11,13)

InChIKey:

HOQHKYACTYMRFK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(=O)Nc1ccc2cn[NH]c2c1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc2cn[nH]c2c1

Name:

N-(1H-indazol-6-yl)acetamide

ZINC:

ZINC000005291601

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).