Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B34YWF
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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-phenylpropylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL414027; BDBM50230443
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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 |
C78H95N13O23S
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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\\CCC3=CC=CC=C3)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/C78H95N13O23S/c1-42(73(108)90-34-9-7-16-58(90)75(110)91-41-48(114-81-33-10-15-44-13-4-3-5-14-44)40-59(91)71(106)85-54(27-30-64(98)99)68(103)84-53(67(79)102)26-29-63(96)97)82-72(107)66(43(2)92)87-70(105)57-18-12-36-89(57)74(109)55(28-31-65(100)101)86-69(104)56-17-11-35-88(56)62(95)19-6-8-32-80-77(115)83-45-20-23-49-52(37-45)78(113-76(49)111)50-24-21-46(93)38-60(50)112-61-39-47(94)22-25-51(61)78/h3-5,13-14,20-25,33,37-39,42-43,48,53-59,66,92-94H,6-12,15-19,26-32,34-36,40-41H2,1-2H3,(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)(H2,80,83,115)/b81-33-/t42-,43+,48-,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
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| InChIKey |
JUNNDFJYIFBPGD-CEAJJBLUSA-N
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| PubChem Compound ID | ||||
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