Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3W0IO
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]pentanedioic acid
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| Synonyms |
CHEMBL1215812; BDBM50416563
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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 |
C119H201N33O37
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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](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CN=CN2)N
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| InChI |
1S/C119H201N33O37/c1-14-64(10)95(151-107(176)76(37-23-29-47-125)139-116(185)94(63(8)9)149-105(174)74(35-21-27-45-123)135-101(170)71(32-18-24-42-120)133-88(157)56-129-100(169)85(57-153)147-98(167)66(12)132-118(187)96(67(13)155)152-99(168)70(126)51-69-55-128-59-130-69)117(186)131-65(11)97(166)134-72(33-19-25-43-121)102(171)137-77(38-40-89(158)159)104(173)148-86(58-154)114(183)142-80(49-61(4)5)109(178)145-83(53-91(162)163)112(181)136-75(36-22-28-46-124)106(175)150-93(62(6)7)115(184)138-73(34-20-26-44-122)103(172)144-82(52-87(127)156)111(180)141-79(48-60(2)3)108(177)143-81(50-68-30-16-15-17-31-68)110(179)146-84(54-92(164)165)113(182)140-78(119(188)189)39-41-90(160)161/h15-17,30-31,55,59-67,70-86,93-96,153-155H,14,18-29,32-54,56-58,120-126H2,1-13H3,(H2,127,156)(H,128,130)(H,129,169)(H,131,186)(H,132,187)(H,133,157)(H,134,166)(H,135,170)(H,136,181)(H,137,171)(H,138,184)(H,139,185)(H,140,182)(H,141,180)(H,142,183)(H,143,177)(H,144,172)(H,145,178)(H,146,179)(H,147,167)(H,148,173)(H,149,174)(H,150,175)(H,151,176)(H,152,168)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,188,189)/t64-,65-,66-,67+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-,96-/m0/s1
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| InChIKey |
JKRBBXGKBLNJHJ-ACEBTPPHSA-N
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| PubChem Compound ID | ||||
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