BioLiP

PDB

BioLiP

PDB CCD ID:

A1L5T

Number of entries in BioLiP:

Chemical formula:

C12 H10 F N3 O S

InChI:

InChI=1S/C12H10FN3OS/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)/t8-/m0/s1

InChIKey:

OFXLNTLGSXLVSA-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc2[CH](CC(=O)Nc2n1)c3ccc(F)cc3
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2CC(=O)Nc3c2sc(n3)N)F
CACTVS 3.385	Nc1sc2[C@@H](CC(=O)Nc2n1)c3ccc(F)cc3
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@@H]2CC(=O)Nc3c2sc(n3)N)F

Name:

(7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one

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).