Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BH7K9I
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| Binder Name |
(2S)-6-Amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
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| Synonyms |
CHEMBL3900757; BDBM50191312
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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 |
C113H183N29O32
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)N
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| InChI |
1S/C113H183N29O32/c1-15-58(7)86(137-93(154)61(10)124-108(169)88(62(11)144)139-94(155)70(117)34-23-26-46-114)106(167)123-60(9)92(153)125-71(35-24-27-47-115)95(156)131-77(51-66-30-19-17-20-31-66)100(161)128-74(43-45-84(151)152)97(158)126-72(37-29-49-122-113(120)121)96(157)130-76(50-56(3)4)99(160)127-73(42-44-82(118)149)98(159)140-91(65(14)147)111(172)136-85(57(5)6)105(166)141-89(63(12)145)109(170)134-80(54-83(119)150)102(163)132-78(53-68-38-40-69(148)41-39-68)101(162)133-79(52-67-32-21-18-22-33-67)103(164)138-87(59(8)16-2)107(168)142-90(64(13)146)110(171)135-81(55-143)104(165)129-75(112(173)174)36-25-28-48-116/h17-22,30-33,38-41,56-65,70-81,85-91,143-148H,15-16,23-29,34-37,42-55,114-117H2,1-14H3,(H2,118,149)(H2,119,150)(H,123,167)(H,124,169)(H,125,153)(H,126,158)(H,127,160)(H,128,161)(H,129,165)(H,130,157)(H,131,156)(H,132,163)(H,133,162)(H,134,170)(H,135,171)(H,136,172)(H,137,154)(H,138,164)(H,139,155)(H,140,159)(H,141,166)(H,142,168)(H,151,152)(H,173,174)(H4,120,121,122)/t58-,59-,60-,61-,62+,63+,64+,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,89-,90-,91-/m0/s1
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| InChIKey |
UHZRTPBKWLFDGJ-IWTRNUCXSA-N
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| PubChem Compound ID | ||||
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