Structure of PDB 6dpz Chain B Binding Site BS01 |
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| Ligand ID | H7D |
| InChI | InChI=1S/C13H24N2O4S/c16-13(17)11-7-3-1-2-4-8-12(11)14-20(18,19)15-9-5-6-10-15/h11-12,14H,1-10H2,(H,16,17)/t11-,12+/m1/s1 |
| InChIKey | SEHSQFUMMWGJHC-NEPJUHHUSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | N(C1C(C(O)=O)CCCCCC1)S(N2CCCC2)(=O)=O | | CACTVS 3.385 | OC(=O)[C@@H]1CCCCCC[C@@H]1N[S](=O)(=O)N2CCCC2 | | OpenEye OEToolkits 2.0.6 | C1CCCC(C(CC1)C(=O)O)NS(=O)(=O)N2CCCC2 | | OpenEye OEToolkits 2.0.6 | C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2 | | CACTVS 3.385 | OC(=O)[CH]1CCCCCC[CH]1N[S](=O)(=O)N2CCCC2 |
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| Formula | C13 H24 N2 O4 S |
| Name | (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6dpz Chain B Residue 401
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