BioLiP

PDB

BioLiP

PDB CCD ID:

HQF

Number of entries in BioLiP:

Chemical formula:

C12 H10 N4 O2 S

InChI:

InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)

InChIKey:

AKDVYGWISHGCBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N
CACTVS 3.385	Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1

Name:

1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid

ChEMBL:

CHEMBL5206719

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).