BioLiP

PDB

BioLiP

PDB CCD ID:

TPR

Number of entries in BioLiP:

Chemical formula:

C12 H15 N O4 S

InChI:

InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1

InChIKey:

CGPHGPCHVUSFFA-LLVKDONJSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2
CACTVS 3.341	Cc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(O)=O
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O
CACTVS 3.341	Cc1ccc(cc1)[S](=O)(=O)N2CCC[C@@H]2C(O)=O

Name:

TOSYL-D-PROLINE

ChEMBL:

CHEMBL334226

DrugBank:

DB02752

ZINC:

ZINC000000063280

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).