BioLiP

PDB

BioLiP

PDB CCD ID:

ID0

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O

InChI:

InChI=1S/C9H13N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H2,1H3,(H,10,13)(H,11,12)

InChIKey:

WWXNJFGNHRDWHB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)c1n[nH]c2CCCCc12
OpenEye OEToolkits 2.0.7	CNC(=O)c1c2c([nH]n1)CCCC2

Name:

N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

ZINC:

ZINC000075337264

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).