Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1F2WV
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| Binder Name |
(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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| Synonyms |
CHEMBL3215420; BDBM50214504
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C46H78N10O28
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| Canonical SMILES |
C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](O[C@H]([C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O[C@@]4(C[C@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N)NC(=O)C)O)O)O
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| InChI |
1S/C46H78N10O28/c1-14(52-40(75)19(8-25(65)66)55-24(64)10-51-39(74)18(47)6-5-7-50-45(48)49)38(73)56-41-27(54-17(4)61)36(82-42-32(71)31(70)28(67)15(2)78-42)34(23(13-59)79-41)81-43-33(72)37(30(69)22(12-58)80-43)84-46(44(76)77)9-20(62)26(53-16(3)60)35(83-46)29(68)21(63)11-57/h14-15,18-23,26-37,41-43,57-59,62-63,67-72H,5-13,47H2,1-4H3,(H,51,74)(H,52,75)(H,53,60)(H,54,61)(H,55,64)(H,56,73)(H,65,66)(H,76,77)(H4,48,49,50)/t14-,15-,18-,19-,20+,21+,22-,23-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,41+,42-,43-,46-/m0/s1
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| InChIKey |
FHFYMJVLHPMDBN-DJRDZJFISA-N
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| PubChem Compound ID | ||||
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