Binder Information
Binder General Information | Top | |||
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Binder ID |
BDB1F6
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Binder Name |
Chembl4299338
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C102H173N37O29
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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](CCCNNC)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5
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InChI |
1S/C102H173N37O29/c1-52(2)44-64(128-84(153)60(24-14-40-120-115-5)124-91(160)70(50-141)133-85(154)59(22-12-38-118-101(111)112)122-81(150)57-20-10-36-116-57)89(158)136-79(53(3)4)96(165)125-61(23-13-39-119-102(113)114)83(152)127-63(19-7-9-35-104)98(167)138-42-16-27-74(138)95(164)135-71(51-142)92(161)132-68(48-78(147)148)99(168)139-43-17-26-73(139)94(163)130-66(46-76(106)145)87(156)123-58(21-11-37-117-100(109)110)82(151)126-62(18-6-8-34-103)97(166)137-41-15-25-72(137)93(162)131-67(47-77(107)146)88(157)129-65(45-54-28-30-55(143)31-29-54)86(155)134-69(49-140)90(159)121-56(80(108)149)32-33-75(105)144/h28-31,52-53,56-74,79,115-116,120,140-143H,6-27,32-51,103-104H2,1-5H3,(H2,105,144)(H2,106,145)(H2,107,146)(H2,108,149)(H,121,159)(H,122,150)(H,123,156)(H,124,160)(H,125,165)(H,126,151)(H,127,152)(H,128,153)(H,129,157)(H,130,163)(H,131,162)(H,132,161)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,147,148)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)/t56-,57+,58-,59+,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74-,79-/m1/s1
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InChIKey |
MMIAIVDYGLHKLA-IDBPWIJJSA-N
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PubChem Compound ID |
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