BioLiP

PDB

BioLiP

PDB CCD ID:

TIA

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O4 S

InChI:

InChI=1S/C9H12N2O4S/c1-3-5(12)6(13)7(15-3)9-11-4(2-16-9)8(10)14/h2-3,5-7,12-13H,1H3,(H2,10,14)/t3-,5-,6-,7-/m1/s1

InChIKey:

FQKJMVYTLPKRQR-SHUUEZRQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1C(C(C(O1)c2nc(cs2)C(=O)N)O)O
OpenEye OEToolkits 1.7.6	C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O
CACTVS 3.370	C[CH]1O[CH]([CH](O)[CH]1O)c2scc(n2)C(N)=O
CACTVS 3.370	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2scc(n2)C(N)=O
ACDLabs 12.01	O=C(c1nc(sc1)C2OC(C(O)C2O)C)N

Name:

2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE

ChEMBL:

CHEMBL1236300

ZINC:

ZINC000006490945

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).