Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BKAI93
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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-carboxypropylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL410011; BDBM50230458
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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 |
C73H91N13O25S
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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\\CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)CCCCNC(=S)NC5=CC6=C(C=C5)C(=O)OC67C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)O
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| InChI |
1S/C73H91N13O25S/c1-37(68(105)85-29-6-4-10-52(85)70(107)86-36-42(111-76-28-7-14-57(91)92)35-53(86)66(103)80-48(22-25-59(95)96)63(100)79-47(62(74)99)21-24-58(93)94)77-67(104)61(38(2)87)82-65(102)51-12-9-31-84(51)69(106)49(23-26-60(97)98)81-64(101)50-11-8-30-83(50)56(90)13-3-5-27-75-72(112)78-39-15-18-43-46(32-39)73(110-71(43)108)44-19-16-40(88)33-54(44)109-55-34-41(89)17-20-45(55)73/h15-20,28,32-34,37-38,42,47-53,61,87-89H,3-14,21-27,29-31,35-36H2,1-2H3,(H2,74,99)(H,77,104)(H,79,100)(H,80,103)(H,81,101)(H,82,102)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H2,75,78,112)/b76-28-/t37-,38+,42-,47-,48-,49-,50-,51-,52?,53-,61-/m0/s1
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| InChIKey |
CRXFCCKBVLNFNO-CUZLLPRFSA-N
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| PubChem Compound ID | ||||
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