Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BCXH81
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| Binder Name |
2-[(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]-8-[[(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]carbamoyl]-26-(hydroxymethyl)-23,32-bis[(4-hydroxyphenyl)methyl]-29-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]hentetracontan-20-yl]acetic acid
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| Synonyms |
CHEMBL4075783; BDBM50242350
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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 |
C105H176N44O25S2
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| Canonical SMILES |
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)CC(=O)O)CC5=CC=C(C=C5)O)CO
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| InChI |
1S/C105H176N44O25S2/c1-52(2)45-68-89(166)140-69(46-56-27-31-58(152)32-28-56)88(165)131-54(5)80(157)144-72(49-150)91(168)141-70(47-57-29-33-59(153)34-30-57)90(167)143-71(48-77(154)155)96(173)148-43-16-26-76(148)94(171)147-78(53(3)4)95(172)145-73(92(169)139-66(23-13-41-129-104(119)120)86(163)137-64(21-11-39-127-102(115)116)84(161)135-62(19-9-37-125-100(111)112)82(159)133-60(79(106)156)17-7-35-123-98(107)108)50-175-176-51-74(97(174)149-44-15-25-75(149)93(170)142-68)146-87(164)67(24-14-42-130-105(121)122)138-85(162)65(22-12-40-128-103(117)118)136-83(160)63(20-10-38-126-101(113)114)134-81(158)61(132-55(6)151)18-8-36-124-99(109)110/h27-34,52-54,60-76,78,150,152-153H,7-26,35-51H2,1-6H3,(H2,106,156)(H,131,165)(H,132,151)(H,133,159)(H,134,158)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,169)(H,140,166)(H,141,168)(H,142,170)(H,143,167)(H,144,157)(H,145,172)(H,146,164)(H,147,171)(H,154,155)(H4,107,108,123)(H4,109,110,124)(H4,111,112,125)(H4,113,114,126)(H4,115,116,127)(H4,117,118,128)(H4,119,120,129)(H4,121,122,130)/t54-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-/m0/s1
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| InChIKey |
OBCZAOGMEUMIQZ-OXENOOMASA-N
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| PubChem Compound ID | ||||
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