BioLiP

PDB

BioLiP

PDB CCD ID:

TIZ

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O5 S

InChI:

InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1

InChIKey:

FVRDYQYEVDDKCR-DBRKOABJSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0	c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N
OpenEye OEToolkits 1.5.0	c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
CACTVS 3.341	NC(=O)c1csc(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
ACDLabs 10.04	O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N

Name:

(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL;
TIAZOFURIN

ChEMBL:

CHEMBL108358

DrugBank:

DB13243

ZINC:

ZINC000004217560

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).