Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BIT3A1
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| Binder Name |
(2E)-2-[(1S,9Z,11S,13S,17R,18R,20R,27S,29R,30R,31S)-14,26-Bis[(3,4-dimethoxyphenyl)methyl]-19-phenyl-21-oxa-8,19-diaza-14,26-diazoniadecacyclo[24.5.2.211,14.01,27.02,7.08,31.010,18.013,17.020,30.024,29]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethanol;dichloride
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| Synonyms |
CHEMBL388049
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C56H64Cl2N4O6
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| Canonical SMILES |
COC1=C(C=C(C=C1)C[N+]23CC[C@H]4[C@@H]2C[C@@H](/C(=C\\CO)/C3)/C/5=C/N6[C@H]7[C@H]8[C@H]9C[C@H]1[C@@]7(CC[N+]1(CC9=CCO[C@H]8N([C@H]45)C1=CC=CC=C1)CC1=CC(=C(C=C1)OC)OC)C1=CC=CC=C16)OC.[Cl-].[Cl-]
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| InChI |
1S/C56H64N4O6.2ClH/c1-62-47-16-14-35(26-49(47)64-3)31-59-22-18-40-46(59)28-41(37(33-59)19-24-61)43-30-57-45-13-9-8-12-44(45)56-21-23-60(32-36-15-17-48(63-2)50(27-36)65-4)34-38-20-25-66-55(52(54(56)57)42(38)29-51(56)60)58(53(40)43)39-10-6-5-7-11-39;;/h5-17,19-20,26-27,30,40-42,46,51-55,61H,18,21-25,28-29,31-34H2,1-4H3;2*1H/q+2;;/p-2/b37-19-,43-30-;;/t40-,41-,42-,46-,51-,52+,53+,54-,55+,56+,59?,60?;;/m0../s1
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| InChIKey |
SSDBSZARTBSRRD-KTQKYGKGSA-L
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| PubChem Compound ID | ||||
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