Binder Information
Binder General Information | Top | |||
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Binder ID |
B1AJ0L
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Binder Name |
Chembl4126235
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Synonyms |
BDBM50273472
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C97H179N36O28+
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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](CCCC[N+](C)(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/C97H178N36O28/c1-49(2)45-66(87(153)117-53(6)94(160)161)127-84(150)64(33-35-69(102)138)123-79(145)58(26-14-18-38-99)121-82(148)62(30-22-41-111-96(106)107)125-89(155)68-32-24-43-132(68)93(159)52(5)116-78(144)57(25-13-17-37-98)118-72(141)47-113-71(140)46-114-90(156)73(54(7)135)129-88(154)67(48-134)128-83(149)59(27-15-19-39-100)122-81(147)61(29-21-40-110-95(104)105)120-77(143)51(4)115-91(157)74(55(8)136)130-86(152)65(34-36-70(103)139)124-80(146)60(28-16-20-44-133(10,11)12)126-92(158)75(56(9)137)131-85(151)63(119-76(142)50(3)101)31-23-42-112-97(108)109/h49-68,73-75,134-137H,13-48,98-101H2,1-12H3,(H35-,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,160,161)/p+1/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1
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InChIKey |
JYHAVUUEXHSCQE-PQGNQBTRSA-O
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PubChem Compound ID |
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