BioLiP

PDB

BioLiP

PDB CCD ID:

A1B3M

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O2 S

InChI:

InChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9-/m0/s1

InChIKey:

FOWCZQMGYPBKOB-IUCAKERBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C1C[C@@H](CN(C1)C(=O)[C@@H]2CCSC2)C(=O)N
ACDLabs 14.52	O=C(N1CC(CCC1)C(N)=O)C1CCSC1
CACTVS 3.385	NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCSC2
OpenEye OEToolkits 3.1.0.0	C1CC(CN(C1)C(=O)C2CCSC2)C(=O)N
CACTVS 3.385	NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H]2CCSC2

Name:

(3S)-1-[(3R)-thiolane-3-carbonyl]piperidine-3-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).