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BioLiP

PDB CCD ID: TPR
Number of entries in BioLiP: 2
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:
SoftwareSMILES
ACDLabs 10.04O=C(O)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2
CACTVS 3.341Cc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(O)=O
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O
CACTVS 3.341Cc1ccc(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, Peter L 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).

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