Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B34XNE
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| Binder Name |
(4S)-5-Amino-4-[[(2S)-4-carboxy-2-[[(2S,4S)-1-[1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-1-[5-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]piperidine-2-carbonyl]-4-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL403545; BDBM50230472
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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 |
C78H95N13O25S
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| Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N)O/N=C\\C3=CC(=C(C=C3)OC)OC)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5C(=O)CCCCNC(=S)NC6=CC7=C(C=C6)C(=O)OC78C9=C(C=C(C=C9)O)OC1=C8C=CC(=C1)O)O
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| InChI |
1S/C78H95N13O25S/c1-40(73(108)90-30-8-6-11-56(90)75(110)91-39-46(116-81-38-42-15-25-58(112-3)61(33-42)113-4)37-57(91)71(106)85-52(23-27-64(98)99)68(103)84-51(67(79)102)22-26-63(96)97)82-72(107)66(41(2)92)87-70(105)55-13-10-32-89(55)74(109)53(24-28-65(100)101)86-69(104)54-12-9-31-88(54)62(95)14-5-7-29-80-77(117)83-43-16-19-47-50(34-43)78(115-76(47)111)48-20-17-44(93)35-59(48)114-60-36-45(94)18-21-49(60)78/h15-21,25,33-36,38,40-41,46,51-57,66,92-94H,5-14,22-24,26-32,37,39H2,1-4H3,(H2,79,102)(H,82,107)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,96,97)(H,98,99)(H,100,101)(H2,80,83,117)/b81-38-/t40-,41+,46-,51-,52-,53-,54-,55-,56?,57-,66-/m0/s1
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| InChIKey |
RAWJUEVVOMFGJB-NANGUOHZSA-N
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| PubChem Compound ID | ||||
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