Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6O0ZA
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| Ligand Name |
Keap1-Nrf2-IN-6
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| Synonyms |
Keap1-Nrf2-IN-6; CHEMBL5092602; 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid; BDBM50584822; HY-143893; CS-0376688; 9P0
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| Structure |
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Download2D MOL |
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| Formula |
C30H34N4O8S
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| Canonical SMILES |
CC(=O)N1CCCC1C(=O)NC2COC(=O)C3=CC=CC(=C3CSCC(NC2=O)C(=O)N(C)C)C4=CC=C(C=C4)C(=O)O
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| InChI |
1S/C30H34N4O8S/c1-17(35)34-13-5-8-25(34)27(37)31-23-14-42-30(41)21-7-4-6-20(18-9-11-19(12-10-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4,6-7,9-12,23-25H,5,8,13-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1
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| InChIKey |
RNGXYARCEQWNBD-SDHSZQHLSA-N
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| PubChem Compound ID | ||||
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