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BioLiP

PDB CCD ID: PIN
Number of entries in BioLiP: 42
Chemical formula: C8 H18 N2 O6 S2
InChI: InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)
InChIKey: IHPYMWDTONKSCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O
Name:PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
PIPES;
1,4-PIPERAZINEDIETHANESULFONIC ACID
ZINC: ZINC000019364835
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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