Binder Information
Binder General Information | Top | |||
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Binder ID |
BR5G9F
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Binder Name |
Chembl4125836
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Synonyms |
BDBM50270476
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C96H176N36O28
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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](CCCCN)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)N1CCC[C@H]1C(=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(C)C)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/C96H176N36O28/c1-48(2)44-65(86(152)116-52(6)93(159)160)126-83(149)63(32-34-68(101)137)122-78(144)57(25-13-17-37-98)120-81(147)61(29-21-40-110-95(105)106)124-88(154)67-31-23-43-132(67)92(158)51(5)115-77(143)56(24-12-16-36-97)117-71(140)46-112-70(139)45-113-89(155)72(53(7)134)128-87(153)66(47-133)127-82(148)58(26-14-18-38-99)121-80(146)60(28-20-39-109-94(103)104)119-76(142)50(4)114-90(156)73(54(8)135)129-85(151)64(33-35-69(102)138)123-79(145)59(27-15-19-42-131(10)11)125-91(157)74(55(9)136)130-84(150)62(118-75(141)49(3)100)30-22-41-111-96(107)108/h48-67,72-74,133-136H,12-47,97-100H2,1-11H3,(H2,101,137)(H2,102,138)(H,112,139)(H,113,155)(H,114,156)(H,115,143)(H,116,152)(H,117,140)(H,118,141)(H,119,142)(H,120,147)(H,121,146)(H,122,144)(H,123,145)(H,124,154)(H,125,157)(H,126,149)(H,127,148)(H,128,153)(H,129,151)(H,130,150)(H,159,160)(H4,103,104,109)(H4,105,106,110)(H4,107,108,111)/t49-,50-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,72-,73-,74-/m0/s1
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InChIKey |
HAEAINLTRBJDIK-PCXPZXRNSA-N
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PubChem Compound ID |
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