BioLiP

PDB

BioLiP

PDB CCD ID:

8UJ

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O3 S

InChI:

InChI=1S/C11H20N2O3S/c1-17(15,16)12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1

InChIKey:

QNSNIWQIVJPNNJ-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(CC1CC(=O)N(C1)C2CCCC2)S(C)(=O)=O
CACTVS 3.385	C[S](=O)(=O)NC[CH]1CN(C2CCCC2)C(=O)C1
CACTVS 3.385	C[S](=O)(=O)NC[C@H]1CN(C2CCCC2)C(=O)C1
OpenEye OEToolkits 2.0.6	CS(=O)(=O)NCC1CC(=O)N(C1)C2CCCC2
OpenEye OEToolkits 2.0.6	CS(=O)(=O)NC[C@@H]1CC(=O)N(C1)C2CCCC2

Name:

N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide

ZINC:

ZINC000213416270

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).