Binder Information
Binder General Information | Top | |||
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Binder ID |
BW9N1Z
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Binder Name |
Chembl4203765
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Synonyms |
BDBM50453706
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C79H116BrN23O28
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Canonical SMILES |
C[C@H]([C@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC(C)(C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=C(C=C3)Br)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H](CC(=O)O)N)O
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InChI |
1S/C79H116BrN23O28/c1-35(2)24-48(70(124)97-51(28-54(82)106)67(121)90-32-56(108)88-31-55(107)89-33-57(109)92-53(34-104)73(127)96-49(25-39-15-17-41(80)18-16-39)71(125)93-45(64(83)118)14-11-23-86-78(84)85)95-72(126)52(29-61(116)117)98-69(123)46(19-21-58(110)111)94-75(129)62(36(3)4)101-65(119)37(5)91-68(122)47(20-22-59(112)113)100-77(131)79(7,8)103-74(128)50(26-40-30-87-44-13-10-9-12-42(40)44)99-76(130)63(38(6)105)102-66(120)43(81)27-60(114)115/h9-10,12-13,15-18,30,35-38,43,45-53,62-63,87,104-105H,11,14,19-29,31-34,81H2,1-8H3,(H2,82,106)(H2,83,118)(H,88,108)(H,89,107)(H,90,121)(H,91,122)(H,92,109)(H,93,125)(H,94,129)(H,95,126)(H,96,127)(H,97,124)(H,98,123)(H,99,130)(H,100,131)(H,101,119)(H,102,120)(H,103,128)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H4,84,85,86)/t37-,38-,43-,45+,46-,47-,48-,49+,50-,51-,52-,53+,62-,63-/m1/s1
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InChIKey |
KZVICRKCXGGVAI-KJJKEXGESA-N
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PubChem Compound ID |
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