Structure of PDB 4yyy Chain B Binding Site BS01 |
| >4yyy Chain B (length=440) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)
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MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHD
MTMPERVSLTMAMRDSGTVLDWKSLNLNGPIVDKHSTGGVGDVTSLMLGP
MVAACGGYVPMISGRGLGHTGGTLDKLEAIPGFDIFPDDNRFREIIQDVG
VAIIGQTSSLAPADKRFYATRDITATVDSIPLITGSILAKKLAEGLDALV
MDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSA
GNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGQLAKDDAEARAKL
QAVLDNGKAAEVFGRMVAAQKGPSDFVENYDKYLPTAMLSKAVYADTEGF
ISAMDTRALGMAVVSMGGGRRQASDTIDYSVGFTDMARLGDSIDGQRPLA
VIHAKDEASWQEAAKAVKAAIILDDKAPASTPSVYRRITE |
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| Ligand ID | URI |
| InChI | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | DRTQHJPVMGBUCF-XVFCMESISA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | | ACDLabs 10.04 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO | | OpenEye OEToolkits 1.5.0 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O | | CACTVS 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
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| Formula | C9 H12 N2 O6 |
| Name | URIDINE |
| ChEMBL | CHEMBL100259 |
| DrugBank | DB02745 |
| ZINC | ZINC000002583633
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| PDB chain | 4yyy Chain B Residue 501
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