Binder Information
Binder General Information | Top | |||
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Binder ID |
B5PZ4T
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Binder Name |
Chembl4217251
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Synonyms |
BDBM50455313
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C93H130N20O37
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Canonical SMILES |
C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6)O
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InChI |
1S/C93H130N20O37/c1-43(2)32-57(82(138)107-62(35-48-15-19-51(117)20-16-48)91(147)113-31-9-12-67(113)89(145)100-54(22-26-69(120)121)78(134)104-59(37-72(126)127)84(140)106-60(38-73(128)129)85(141)109-64(93(149)150)33-44(3)4)102-87(143)65(41-114)110-86(142)61(39-74(130)131)105-83(139)58(34-47-13-17-50(116)18-14-47)103-79(135)55(23-27-70(122)123)101-90(146)75(46(6)115)111-81(137)56(24-28-71(124)125)98-76(132)45(5)97-88(144)66-11-8-30-112(66)92(148)63(36-49-40-94-42-96-49)108-80(136)53(21-25-68(118)119)99-77(133)52-10-7-29-95-52/h13-20,40,42-46,52-67,75,95,114-117H,7-12,21-39,41H2,1-6H3,(H,94,96)(H,97,144)(H,98,132)(H,99,133)(H,100,145)(H,101,146)(H,102,143)(H,103,135)(H,104,134)(H,105,139)(H,106,140)(H,107,138)(H,108,136)(H,109,141)(H,110,142)(H,111,137)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,149,150)/t45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,75-/m0/s1
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InChIKey |
VNQQHTMQUBNVOL-WUCAJDJGSA-N
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PubChem Compound ID |
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