Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B4VA5G
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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)-(4-phenylmethoxyphenyl)methylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL411538; BDBM50230484
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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 |
C83H97N13O24S
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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)OCC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)CCCCNC(=S)NC7=CC8=C(C=C7)C(=O)OC89C1=C(C=C(C=C1)O)OC1=C9C=CC(=C1)O)O
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| InChI |
1S/C83H97N13O24S/c1-45(78(113)95-35-9-7-14-63(95)80(115)96-43-53(120-86-42-47-18-23-52(24-19-47)117-44-48-12-4-3-5-13-48)41-64(96)76(111)90-59(29-32-69(103)104)73(108)89-58(72(84)107)28-31-68(101)102)87-77(112)71(46(2)97)92-75(110)62-16-11-37-94(62)79(114)60(30-33-70(105)106)91-74(109)61-15-10-36-93(61)67(100)17-6-8-34-85-82(121)88-49-20-25-54-57(38-49)83(119-81(54)116)55-26-21-50(98)39-65(55)118-66-40-51(99)22-27-56(66)83/h3-5,12-13,18-27,38-40,42,45-46,53,58-64,71,97-99H,6-11,14-17,28-37,41,43-44H2,1-2H3,(H2,84,107)(H,87,112)(H,89,108)(H,90,111)(H,91,109)(H,92,110)(H,101,102)(H,103,104)(H,105,106)(H2,85,88,121)/b86-42-/t45-,46+,53-,58-,59-,60-,61-,62-,63?,64-,71-/m0/s1
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| InChIKey |
MVMSCMXKRGCMDP-JWDQIAHRSA-N
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| PubChem Compound ID | ||||
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