BioLiP

PDB

BioLiP

PDB CCD ID:

7RI

Number of entries in BioLiP:

Chemical formula:

C9 H8 Br N3 O

InChI:

InChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)

InChIKey:

LZKFBFNVDKRHMH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)c1c2cc(ccc2[nH]n1)Br
CACTVS 3.385	CNC(=O)c1n[nH]c2ccc(Br)cc12

Name:

5-bromanyl-N-methyl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, 5-bromo-N-methyl-

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).