Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BMBF42
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| Binder Name |
Methyl (2S,4S)-4-amino-2-[[(2S,4S)-4-amino-2-[3-[(1R,3R)-3-[[(2S,4S)-4-amino-2-[[(2S,4S)-4-amino-5-(1H-indol-3-yl)-3-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-(1H-indol-3-yl)-3-oxopentanoyl]amino]-2-oxocyclohexyl]propanoylamino]-5-(1H-indol-3-yl)-3-oxopentanoyl]amino]-5-(4-hydroxyphenyl)-3-oxopentanoate
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| Synonyms |
CHEMBL265127; BDBM50292271
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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 |
C68H74N12O14
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| Canonical SMILES |
COC(=O)[C@H](C(=O)[C@H](CC1=CC=C(C=C1)O)N)NC(=O)[C@H](C(=O)[C@H](CC2=CNC3=CC=CC=C32)N)NC(=O)CC[C@H]4CCC[C@H](C4=O)NC(=O)[C@H](C(=O)[C@H](CC5=CNC6=CC=CC=C65)N)NC(=O)[C@H](C(=O)[C@H](CC7=CNC8=CC=CC=C87)N)NC(=O)OCC9=CC=CC=C9
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| InChI |
1S/C68H74N12O14/c1-93-67(91)58(63(87)46(69)28-36-22-25-42(81)26-23-36)79-65(89)55(60(84)47(70)29-39-32-73-50-18-8-5-15-43(39)50)77-54(82)27-24-38-14-11-21-53(59(38)83)76-64(88)56(61(85)48(71)30-40-33-74-51-19-9-6-16-44(40)51)78-66(90)57(80-68(92)94-35-37-12-3-2-4-13-37)62(86)49(72)31-41-34-75-52-20-10-7-17-45(41)52/h2-10,12-13,15-20,22-23,25-26,32-34,38,46-49,53,55-58,73-75,81H,11,14,21,24,27-31,35,69-72H2,1H3,(H,76,88)(H,77,82)(H,78,90)(H,79,89)(H,80,92)/t38-,46+,47+,48+,49+,53-,55+,56+,57+,58+/m1/s1
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| InChIKey |
ZVHPVNKHJJNPRR-YIPFKETKSA-N
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| PubChem Compound ID | ||||
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