Structure of PDB 1ecg Chain A Binding Site BS03 |
| >1ecg Chain A (length=492) Species: 562 (Escherichia coli)
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CGIVGIAGVMPVNQSIYDALTVLQHRGQDAAGIITIDANNCFRLRKANGL
VSDVFEARHMQRLQGNMGIGHVRYPTAGSSSASEAQPFYVNSPYGITLAH
NGNLTNAHELRKKLFEEKRRHINTTSDSEILLNIFASELDNFRHYPLEAD
NIFAAIAATNRLIRGAYACVAMIIGHGMVAFRDPNGIRPLVLGKRDIDEN
RTEYMVASESVALDTLGFDFLRDVAPGEAIYITEEGQLFTRQCADNPVSN
PCLFEYVYFARPDSFIDKISVYSARVNMGTKLGEKIAREWEDLDIDVVIP
IPETSCDIALEIARILGKPYRQGFVKNRYVGRTFIMPGQQLRRKSVRRKL
NANRAEFRDKNVLLVDDSIVRGTTSEQIIEMAREAGAKKVYLASAAPEIR
FPNVYGIDMPSATELIAHGREVDEIRQIIGADGLIFQDLNDLIDAVRAEN
PDIQQFECSVFNGVYVTKDVDQGYLDFLDTLRNDDAKAVQRQ |
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| Ligand ID | PIN |
| 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 | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1 | | OpenEye OEToolkits 1.5.0 | C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O | | CACTVS 3.341 | O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O |
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| Formula | C8 H18 N2 O6 S2 |
| Name | PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
PIPES;
1,4-PIPERAZINEDIETHANESULFONIC ACID |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000019364835
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| PDB chain | 1ecg Chain A Residue 507
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