Structure of PDB 2sli Chain A Binding Site BS01 |
| >2sli Chain A (length=679) Species: 6405 (Macrobdella decora)
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IPEGILMEKNNVDIAEGQGYSLDQEAGAKYVKAMTQGTIILSYKSTSENG
IQSLFSVGNSTAGNQDRHFHIYITNSGGIGIELRNTDGVFNYTLDRPASV
RALYKGERVFNTVALKADAANKQCRLFANGELLATLDKDAFKFISDITGV
DNVTLGGTKRQGKIAYPFGGTIGDIKVYSNALSDEELIQATGVTTYGENI
FYAGDVTESNYFRIPSLLTLSTGTVISAADARYGGTHDSKSKINIAFAKS
TDGGNTWSEPTLPLKFDDYIAKNIDWPRDSVGKNVQIQGSASYIDPVLLE
DKLTKRIFLFADLMPAGIGSSNASVGSGFKEVNGKKYLKLRWHKDAGRAY
DYTIREKGVIYNDATNQPTEFRVDGEYNLYQHDTNLTCKQYDYNFSGNNL
IESKTDVDVNMNIFYKNSVFKAFPTNYLAMRYSDDEGASWSDLDIVSSFK
PEVSKFLVVGPGIGKQISTGENAGRLLVPLYSKSSAELGFMYSDDHGDNW
TYVEADNLTGGATAEAQIVEMPDGSLKTYLRTGSNCIAEVTSIDGGETWS
DRVPLQGISTTSYGTQLSVINYSQPIDGKPAIILSSPNATNGRKNGKIWI
GLVNDTGNTGIDKYSVEWKYSYAVDTPQMGYSYSCLAELPDGQVGLLYEK
YDSWSRNELHLKDILKFEKYSISELTGQA |
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| Ligand ID | SKD |
| InChI | InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6+,7+,8+,9+,11+/m0/s1 |
| InChIKey | NCMJSVDTRDLWJE-YRMXFSIDSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(NC1C(O)CC2(OC1C(O2)C(O)CO)C(=O)O)C | | CACTVS 3.341 | CC(=O)N[C@@H]1[C@@H](O)C[C@]2(O[C@H]([C@H](O)CO)[C@@H]1O2)C(O)=O | | CACTVS 3.341 | CC(=O)N[CH]1[CH](O)C[C]2(O[CH]([CH](O)CO)[CH]1O2)C(O)=O | | OpenEye OEToolkits 1.5.0 | CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(CC2(OC1C(O2)C(CO)O)C(=O)O)O |
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| Formula | C11 H17 N O8 |
| Name | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID;
2,7-ANHYDRO-NEU5AC |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 2sli Chain A Residue 760
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