BioLiP

PDB

BioLiP

PDB CCD ID:

HO7

Number of entries in BioLiP:

Chemical formula:

C11 H11 Br N2 S

InChI:

InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1

InChIKey:

HTHGAIADRJRJOY-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1[C@H]2CN3CCSC3=N2)Br
CACTVS 3.385	Brc1ccc(cc1)[CH]2CN3CCSC3=N2
OpenEye OEToolkits 2.0.6	c1cc(ccc1C2CN3CCSC3=N2)Br
CACTVS 3.385	Brc1ccc(cc1)[C@H]2CN3CCSC3=N2
ACDLabs 12.01	c3c(C2CN1CCSC1=N2)ccc(c3)Br

Name:

(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

ChEMBL:

CHEMBL1527442

ZINC:

ZINC000000056495

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).