BioLiP

PDB

BioLiP

PDB CCD ID:

A1H60

Number of entries in BioLiP:

Chemical formula:

C17 H15 N5 O S

InChI:

InChI=1S/C17H15N5OS/c23-16(13-9-22(20-19-13)12-4-2-1-3-5-12)15-17(11-6-7-11)24-14-8-18-10-21(14)15/h1-5,8-11,16,23H,6-7H2/t16-/m0/s1

InChIKey:

UKUAOOUOSBGLGI-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)n2cc(nn2)C(c3c(sc4n3cnc4)C5CC5)O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)n2cc(nn2)[C@@H](c3c(sc4n3cnc4)C5CC5)O
CACTVS 3.385	O[CH](c1cn(nn1)c2ccccc2)c3n4cncc4sc3C5CC5
CACTVS 3.385	O[C@@H](c1cn(nn1)c2ccccc2)c3n4cncc4sc3C5CC5

Name:

(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

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).