BioLiP

PDB

BioLiP

PDB CCD ID:

A1AP2

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O2 S

InChI:

InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m0/s1

InChIKey:

MTDCJLXPYPQTPX-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(ncs1)C(=O)NC2CCC(=O)NC2
CACTVS 3.385	O=C1CC[C@@H](CN1)NC(=O)c2cscn2
CACTVS 3.385	O=C1CC[CH](CN1)NC(=O)c2cscn2
ACDLabs 12.01	O=C(NC1CCC(=O)NC1)c1cscn1
OpenEye OEToolkits 2.0.7	c1c(ncs1)C(=O)N[C@H]2CCC(=O)NC2

Name:

N-[(3S)-6-oxopiperidin-3-yl]-1,3-thiazole-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).