BioLiP

PDB

BioLiP

PDB CCD ID:

A1A6F

Number of entries in BioLiP:

Chemical formula:

C13 H8 N4 S

InChI:

InChI=1S/C13H8N4S/c1-2-5-11-10(4-1)16-13(18-11)9-8-15-17-7-3-6-14-12(9)17/h1-8H

InChIKey:

SAZAMNXEWSKXHU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	s1c2ccccc2nc1c3cnn4cccnc34
ACDLabs 14.52	c1cccc2sc(nc12)c1cnn2cccnc21
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)nc(s2)c3cnn4c3nccc4

Name:

(8R)-3-(1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine

ChEMBL:

CHEMBL4632827

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).