Binder Information
Binder General Information | Top | |||
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Binder ID |
B7JRV8
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Binder Name |
Chembl4299336
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C111H180N36O29
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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](CCCCN[C@H]5C[C@@H]5C6=CC=CC=C6)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]7CCCN7
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InChI |
1S/C111H180N36O29/c1-58(2)49-73(136-93(161)66(23-10-13-41-125-72-51-63(72)61-21-6-5-7-22-61)132-100(168)79(56-149)141-94(162)68(28-16-44-127-110(120)121)130-90(158)65-26-14-42-124-65)98(166)144-88(59(3)4)105(173)133-69(29-17-45-128-111(122)123)92(160)135-71(25-9-12-40-113)107(175)146-47-19-32-83(146)104(172)143-80(57-150)101(169)140-77(54-87(155)156)108(176)147-48-20-31-82(147)103(171)138-75(52-85(115)153)96(164)131-67(27-15-43-126-109(118)119)91(159)134-70(24-8-11-39-112)106(174)145-46-18-30-81(145)102(170)139-76(53-86(116)154)97(165)137-74(50-60-33-35-62(151)36-34-60)95(163)142-78(55-148)99(167)129-64(89(117)157)37-38-84(114)152/h5-7,21-22,33-36,58-59,63-83,88,124-125,148-151H,8-20,23-32,37-57,112-113H2,1-4H3,(H2,114,152)(H2,115,153)(H2,116,154)(H2,117,157)(H,129,167)(H,130,158)(H,131,164)(H,132,168)(H,133,173)(H,134,159)(H,135,160)(H,136,161)(H,137,165)(H,138,171)(H,139,170)(H,140,169)(H,141,162)(H,142,163)(H,143,172)(H,144,166)(H,155,156)(H4,118,119,126)(H4,120,121,127)(H4,122,123,128)/t63-,64-,65+,66+,67-,68+,69+,70-,71+,72+,73+,74-,75-,76+,77-,78-,79+,80-,81-,82-,83+,88+/m1/s1
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InChIKey |
HXKSHJGHLYKCBV-LPRBIFFKSA-N
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PubChem Compound ID |
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