BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2D

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O

InChI:

InChI=1S/C8H7N3O/c9-8(12)5-1-2-6-4-10-11-7(6)3-5/h1-4H,(H2,9,12)(H,10,11)

InChIKey:

FBGOHJNZYJSJKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c[nH]nc2cc1C(=O)N
CACTVS 3.385	NC(=O)c1ccc2c[nH]nc2c1

Name:

2~{H}-indazole-6-carboxamide

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).