BioLiP

PDB

BioLiP

PDB CCD ID:

RLV

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O3 S

InChI:

InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-4-11(5-7-13)12-9-14(17)16(2)10-12/h4-7,12,15H,3,8-10H2,1-2H3/t12-/m0/s1

InChIKey:

UOJMSGYUFCDFLH-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C
CACTVS 3.385	CCCN[S](=O)(=O)c1ccc(cc1)[C@@H]2CN(C)C(=O)C2
ACDLabs 12.01	CN2C(CC(c1ccc(S(NCCC)(=O)=O)cc1)C2)=O
OpenEye OEToolkits 2.0.7	CCCNS(=O)(=O)c1ccc(cc1)C2CC(=O)N(C2)C
CACTVS 3.385	CCCN[S](=O)(=O)c1ccc(cc1)[CH]2CN(C)C(=O)C2

Name:

4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide

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).