Binder Information
Binder General Information | Top | |||
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Binder ID |
B5IHR2
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Binder Name |
Interleukin-8 inhibitor, 4
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Synonyms |
CHEMBL3856134; CHEMBL2370827; BDBM50291129
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C111H149N23O37S
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Canonical SMILES |
C[C@H](CCCNC(=O)C([C@@H](C)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCSC)NC(=O)C)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CO)C(=O)N8CCC[C@H]8C(=O)N
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InChI |
1S/C111H149N23O37S/c1-55(2)42-69(120-102(162)77(50-88(146)147)129-105(165)79(52-90(150)151)127-97(157)70(43-60-21-10-8-11-22-60)121-104(164)78(51-89(148)149)128-99(159)73(46-63-53-115-66-26-15-14-25-65(63)66)124-95(155)68(36-41-172-7)117-59(6)137)96(156)125-74(47-84(112)139)100(160)123-72(44-61-23-12-9-13-24-61)106(166)131-91(58(5)136)108(168)114-37-16-20-56(3)109(169)134-40-19-29-83(134)111(171)133-39-18-28-82(133)107(167)116-57(4)93(153)119-75(48-86(142)143)101(161)118-67(34-35-85(140)141)94(154)126-76(49-87(144)145)103(163)122-71(45-62-30-32-64(138)33-31-62)98(158)130-80(54-135)110(170)132-38-17-27-81(132)92(113)152/h8-15,21-26,30-33,53,55-58,67-83,91,115,135-136,138H,16-20,27-29,34-52,54H2,1-7H3,(H2,112,139)(H2,113,152)(H,114,168)(H,116,167)(H,117,137)(H,118,161)(H,119,153)(H,120,162)(H,121,164)(H,122,163)(H,123,160)(H,124,155)(H,125,156)(H,126,154)(H,127,157)(H,128,159)(H,129,165)(H,130,158)(H,131,166)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)/t56-,57+,58-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,91?/m1/s1
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InChIKey |
DAGSWVQNGBUOAE-NUNAXFQBSA-N
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PubChem Compound ID |
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