BioLiP

PDB

BioLiP

PDB CCD ID:

BZN

Number of entries in BioLiP:

Chemical formula:

C23 H32 N2 O3 S

InChI:

InChI=1S/C23H32N2O3S/c1-19(2)15-25(29(26,27)23-11-7-4-8-12-23)16-21-13-24-14-22(21)18-28-17-20-9-5-3-6-10-20/h3-12,19,21-22,24H,13-18H2,1-2H3/t21-,22-/m1/s1

InChIKey:

DGURGFSAQIBQCO-FGZHOGPDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)CN(CC1CNCC1COCc2ccccc2)S(=O)(=O)c3ccccc3
CACTVS 3.341	CC(C)CN(C[CH]1CNC[CH]1COCc2ccccc2)[S](=O)(=O)c3ccccc3
CACTVS 3.341	CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)[S](=O)(=O)c3ccccc3
ACDLabs 10.04	O=S(=O)(c1ccccc1)N(CC(C)C)CC3CNCC3COCc2ccccc2
OpenEye OEToolkits 1.5.0	CC(C)CN(C[C@H]1CNC[C@@H]1COCc2ccccc2)S(=O)(=O)c3ccccc3

Name:

N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide;
N-((3R,4R)-4-Benzyloxymethyl-pyrrolidin-3-ylmethyl)-N-isobutyl-benzene sulfonamide

DrugBank:

DB07505

ZINC:

ZINC000053683066

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).