Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8FZE0
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| Binder Name |
(4S)-5-Amino-4-[[(2S)-4-carboxy-2-[[(2S,4R)-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)-nonylideneamino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL403600; BDBM50230478
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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 |
C78H103N13O23S
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| Canonical SMILES |
CCCCCCCC/C=N\\O[C@@H]1C[C@H](N(C1)C(=O)C2CCCCN2C(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)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)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
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| InChI |
1S/C78H103N13O23S/c1-4-5-6-7-8-9-12-34-81-114-48-41-59(71(106)85-54(28-31-64(98)99)68(103)84-53(67(79)102)27-30-63(96)97)91(42-48)75(110)58-17-11-14-35-90(58)73(108)43(2)82-72(107)66(44(3)92)87-70(105)57-19-16-37-89(57)74(109)55(29-32-65(100)101)86-69(104)56-18-15-36-88(56)62(95)20-10-13-33-80-77(115)83-45-21-24-49-52(38-45)78(113-76(49)111)50-25-22-46(93)39-60(50)112-61-40-47(94)23-26-51(61)78/h21-26,34,38-40,43-44,48,53-59,66,92-94H,4-20,27-33,35-37,41-42H2,1-3H3,(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)/b81-34-/t43-,44+,48+,53-,54-,55-,56-,57-,58?,59-,66-/m0/s1
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| InChIKey |
QCZBCJFPLSTILX-PDEYSTKQSA-N
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| PubChem Compound ID | ||||
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