Binder Information
Binder General Information | Top | |||
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Binder ID |
BLPY91
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Binder Name |
Chembl266073
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Synonyms |
CHEMBL3215453; BDBM50291605
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C90H120N4Na2O46
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Canonical SMILES |
C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](O[C@H]([C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O[C@@]4(C[C@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)CO)OCCC5=CC(=CC=C5)CCO[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO)O)O[C@]8(C[C@@H]([C@@H]([C@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O[C@@H]9[C@@H]([C@@H]([C@H]([C@H](O9)C)O)O)O)NC(=O)C1=CC2=CC=CC=C2C=C1)NC(=O)C1=CC2=CC=CC=C2C=C1)O)O)O.[Na+].[Na+]
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InChI |
1S/C90H122N4O46.2Na/c1-35-59(107)65(113)67(115)83(127-35)135-75-57(93-79(119)45-18-16-41-12-5-7-14-43(41)25-45)81(131-53(33-99)71(75)133-85-69(117)77(63(111)51(31-97)129-85)139-89(87(121)122)27-47(103)55(91-37(3)101)73(137-89)61(109)49(105)29-95)125-22-20-39-10-9-11-40(24-39)21-23-126-82-58(94-80(120)46-19-17-42-13-6-8-15-44(42)26-46)76(136-84-68(116)66(114)60(108)36(2)128-84)72(54(34-100)132-82)134-86-70(118)78(64(112)52(32-98)130-86)140-90(88(123)124)28-48(104)56(92-38(4)102)74(138-90)62(110)50(106)30-96;;/h5-19,24-26,35-36,47-78,81-86,95-100,103-118H,20-23,27-34H2,1-4H3,(H,91,101)(H,92,102)(H,93,119)(H,94,120)(H,121,122)(H,123,124);;/q;2*+1/p-2/t35-,36+,47+,48-,49-,50-,51-,52+,53-,54+,55+,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66+,67-,68+,69-,70+,71+,72-,73+,74-,75+,76-,77-,78+,81+,82-,83-,84+,85-,86+,89-,90+;;/m1../s1
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InChIKey |
OAJDIWODZAVCPU-AHARWHLRSA-L
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PubChem Compound ID |
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