Binder Information
Binder General Information | Top | |||
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Binder ID |
B1L5ZS
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Binder Name |
Chembl4299285
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C101H171N37O29
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Canonical SMILES |
CC(C)C[C@H](C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](CC4=CC=C(C=C4)O)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)N)C(=O)N)NC(=O)[C@@H](CCCNN)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5
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InChI |
1S/C101H171N37O29/c1-51(2)43-63(127-83(152)59(23-13-39-119-114)123-90(159)69(49-140)132-84(153)58(21-11-37-117-100(110)111)121-80(149)56-19-9-35-115-56)88(157)135-78(52(3)4)95(164)124-60(22-12-38-118-101(112)113)82(151)126-62(18-6-8-34-103)97(166)137-41-15-26-73(137)94(163)134-70(50-141)91(160)131-67(47-77(146)147)98(167)138-42-16-25-72(138)93(162)129-65(45-75(105)144)86(155)122-57(20-10-36-116-99(108)109)81(150)125-61(17-5-7-33-102)96(165)136-40-14-24-71(136)92(161)130-66(46-76(106)145)87(156)128-64(44-53-27-29-54(142)30-28-53)85(154)133-68(48-139)89(158)120-55(79(107)148)31-32-74(104)143/h27-30,51-52,55-73,78,115,119,139-142H,5-26,31-50,102-103,114H2,1-4H3,(H2,104,143)(H2,105,144)(H2,106,145)(H2,107,148)(H,120,158)(H,121,149)(H,122,155)(H,123,159)(H,124,164)(H,125,150)(H,126,151)(H,127,152)(H,128,156)(H,129,162)(H,130,161)(H,131,160)(H,132,153)(H,133,154)(H,134,163)(H,135,157)(H,146,147)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)/t55-,56+,57-,58+,59-,60-,61-,62-,63-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73-,78-/m1/s1
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InChIKey |
UMJLSAUNCMLHID-MLXOXCNGSA-N
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PubChem Compound ID |
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