Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B0G1PJ
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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)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxypyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
CHEMBL411819; BDBM50230471
Click to Show/Hide
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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 |
C79H95N13O23S
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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\\C(=C\\C3=CC=CC=C3)\\C)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/C79H95N13O23S/c1-42(35-45-13-5-4-6-14-45)40-82-115-49-39-60(72(107)86-55(26-29-65(99)100)69(104)85-54(68(80)103)25-28-64(97)98)92(41-49)76(111)59-15-8-10-32-91(59)74(109)43(2)83-73(108)67(44(3)93)88-71(106)58-17-12-34-90(58)75(110)56(27-30-66(101)102)87-70(105)57-16-11-33-89(57)63(96)18-7-9-31-81-78(116)84-46-19-22-50-53(36-46)79(114-77(50)112)51-23-20-47(94)37-61(51)113-62-38-48(95)21-24-52(62)79/h4-6,13-14,19-24,35-38,40,43-44,49,54-60,67,93-95H,7-12,15-18,25-34,39,41H2,1-3H3,(H2,80,103)(H,83,108)(H,85,104)(H,86,107)(H,87,105)(H,88,106)(H,97,98)(H,99,100)(H,101,102)(H2,81,84,116)/b42-35+,82-40-/t43-,44+,49-,54-,55-,56-,57-,58-,59?,60-,67-/m0/s1
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| InChIKey |
GSQHNYJFLXGIRF-ABDHXIOESA-N
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| PubChem Compound ID | ||||
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