BioLiP

PDB

BioLiP

PDB CCD ID:

9FE

Number of entries in BioLiP:

Chemical formula:

C8 H5 Br N2 O2

InChI:

InChI=1S/C8H5BrN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)

InChIKey:

RWQMEUDBXGKAER-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1C(=O)O)c(n[nH]2)Br
CACTVS 3.385	OC(=O)c1ccc2[nH]nc(Br)c2c1

Name:

3-bromanyl-1~{H}-indazole-5-carboxylic acid

ZINC:

ZINC000014983421

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).