Binder Information
Binder General Information | Top | |||
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Binder ID |
BF18SC
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Binder Name |
FMS3-gentamicin C1
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Synonyms |
CHEMBL264831; BDBM50118508
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C66H73N5O22S3
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Canonical SMILES |
CC([C@H]1CCC([C@H](O1)O[C@H]2[C@H](C([C@@H](CC2NC(=O)OCC3C4=CC=CC=C4C5=C3C=C(C=C5)S(=O)(=O)O)NC(=O)OCC6C7=CC=CC=C7C8=C6C=C(C=C8)S(=O)(=O)O)O[C@@H]9[C@H](C([C@@](CO9)(C)O)NC)O)O)NC(=O)OCC1C2=CC=CC=C2C2=C1C=C(C=C2)S(=O)(=O)O)NC
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InChI |
1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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InChIKey |
KMGRSQYALCCYNB-BUAXULEFSA-N
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PubChem Compound ID |
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