Binder Information
Binder General Information | Top | |||
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Binder ID |
BK3PE9
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Binder Name |
Chembl4299337
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C116H205N42O45P3S
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Canonical SMILES |
C[C@@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NC)NC(=O)CNC(=O)CNC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C(=O)N[C@@H](C)C(=O)N4CCC[C@@H]4C(=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)O)O
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InChI |
1S/C116H205N42O45P3S/c1-56(2)46-72(102(181)145-66(27-20-39-132-112(122)123)94(173)141-59(6)93(172)155-84(62(9)161)106(185)149-71(32-34-78(120)164)99(178)144-65(25-15-18-37-118)101(180)156-85(63(10)162)107(186)148-67(28-21-40-133-113(124)125)95(174)140-58(5)92(171)128-13)150-103(182)74(50-159)152-105(184)83(61(8)160)154-81(167)49-135-80(166)48-136-115(191)153-69(96(175)142-60(7)109(188)157-44-23-30-75(157)104(183)147-68(29-22-41-134-114(126)127)98(177)143-64(24-14-17-36-117)97(176)146-70(31-33-77(119)163)100(179)151-73(111(189)190)47-57(3)4)26-16-19-38-129-82(168)52-207-45-43-130-79(165)35-42-131-108(187)89(170)116(11,12)53-200-206(197,198)203-205(195,196)199-51-76-88(202-204(192,193)194)87(169)110(201-76)158-55-139-86-90(121)137-54-138-91(86)158/h54-76,83-85,87-89,110,159-162,169-170H,14-53,117-118H2,1-13H3,(H2,119,163)(H2,120,164)(H,128,171)(H,129,168)(H,130,165)(H,131,187)(H,135,166)(H,140,174)(H,141,173)(H,142,175)(H,143,177)(H,144,178)(H,145,181)(H,146,176)(H,147,183)(H,148,186)(H,149,185)(H,150,182)(H,151,179)(H,152,184)(H,154,167)(H,155,172)(H,156,180)(H,189,190)(H,195,196)(H,197,198)(H2,121,137,138)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H2,136,153,191)(H2,192,193,194)/t58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68+,69+,70+,71-,72-,73-,74-,75+,76-,83-,84-,85-,87-,88-,89+,110-/m0/s1
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InChIKey |
XNERBKYJGCJFIG-FRUUPGERSA-N
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PubChem Compound ID |
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