BioLiP

PDB

BioLiP

PDB CCD ID:

488

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2 O3 S2

InChI:

InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1

InChIKey:

NYBZAGXTZXPYND-GBIKHYSHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C1N(C)C(SC1)C2N=C(SC2)c3ccccc3O
CACTVS 3.370	CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(O)=O
OpenEye OEToolkits 1.7.2	CN1C(CSC1C2CSC(=N2)c3ccccc3O)C(=O)O
OpenEye OEToolkits 1.7.2	CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)O
CACTVS 3.370	CN1[CH](CS[CH]1[CH]2CSC(=N2)c3ccccc3O)C(O)=O

Name:

(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid;
Pyochelin

ChEMBL:

CHEMBL3099904

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).