Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B7IB0U
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-5-Amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-(2,5-dihydropyrrol-1-yl)hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
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| Synonyms |
CHEMBL3402050; BDBM50067547
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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 |
C98H176N36O28
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| Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN1CC=CC1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)N)O
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| InChI |
1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(27-13-17-42-133-43-18-19-44-133)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(26-12-16-38-101)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1
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| InChIKey |
DXKPZNAIXHJDMS-DZIDTWKBSA-N
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| PubChem Compound ID | ||||
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