BioLiP

PDB

BioLiP

PDB CCD ID:

RNU

Number of entries in BioLiP:

Chemical formula:

C14 H17 N3 O3 S2

InChI:

InChI=1S/C14H17N3O3S2/c1-8-3-4-11(20-8)13(19)17-7-21-6-10(17)12(18)16-14-15-5-9(2)22-14/h3-5,10,14-15H,6-7H2,1-2H3,(H,16,18)/t10-,14+/m1/s1

InChIKey:

UAKUHPRPOILDIK-YGRLFVJLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ccc(o1)C(=O)N2CSCC2C(=O)NC3NC=C(S3)C
CACTVS 3.385	Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=C(C)S3
CACTVS 3.385	Cc1oc(cc1)C(=O)N2CSC[C@@H]2C(=O)N[C@@H]3NC=C(C)S3

Name:

~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide

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).