Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BP73VX
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| Binder Name |
(3R,8R,11S,14S,20S,23S,26S,29S,32S,35S,38S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-29-[(2S)-butan-2-yl]-26-(hydroxymethyl)-23,32-bis[(4-hydroxyphenyl)methyl]-20-methyl-35-(2-methylpropyl)-2,10,13,19,22,25,28,31,34,37-decaoxo-11-propan-2-yl-5,6-dithia-1,9,12,18,21,24,27,30,33,36-decazatricyclo[36.3.0.014,18]hentetracontane-8-carboxamide
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| Synonyms |
CHEMBL4074790; BDBM50242351
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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 |
C107H182N44O23S2
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| Canonical SMILES |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC4=CC=C(C=C4)O)CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)C(C)C)C)CC5=CC=C(C=C5)O)CO
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| InChI |
1S/C107H182N44O23S2/c1-9-56(6)80-97(172)145-74(51-152)92(167)143-72(49-59-30-34-61(154)35-31-59)89(164)133-57(7)98(173)150-46-18-29-78(150)95(170)148-79(55(4)5)96(171)146-75(93(168)141-69(26-16-44-131-106(121)122)87(162)139-67(24-14-42-129-104(117)118)85(160)137-65(22-12-40-127-102(113)114)83(158)135-63(81(108)156)20-10-38-125-100(109)110)52-175-176-53-76(99(174)151-47-19-28-77(151)94(169)144-71(48-54(2)3)90(165)142-73(91(166)149-80)50-60-32-36-62(155)37-33-60)147-88(163)70(27-17-45-132-107(123)124)140-86(161)68(25-15-43-130-105(119)120)138-84(159)66(23-13-41-128-103(115)116)136-82(157)64(134-58(8)153)21-11-39-126-101(111)112/h30-37,54-57,63-80,152,154-155H,9-29,38-53H2,1-8H3,(H2,108,156)(H,133,164)(H,134,153)(H,135,158)(H,136,157)(H,137,160)(H,138,159)(H,139,162)(H,140,161)(H,141,168)(H,142,165)(H,143,167)(H,144,169)(H,145,172)(H,146,171)(H,147,163)(H,148,170)(H,149,166)(H4,109,110,125)(H4,111,112,126)(H4,113,114,127)(H4,115,116,128)(H4,117,118,129)(H4,119,120,130)(H4,121,122,131)(H4,123,124,132)/t56-,57-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
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| InChIKey |
BNIKUQVBVMIHAO-SQYYYKBQSA-N
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| PubChem Compound ID | ||||
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