Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGJ59Y
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| Ligand Name |
5-(4-Chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-Nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-Yl]phenyl}-1,2-Dimethyl-1h-Pyrrole-3-Carboxylic Acid
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| Synonyms |
CHEMBL2159737; 5-(4-Chlorophenyl)-4-{3-[4-(4-{[(4-{[(2r)-4-(Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-Nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-Yl]phenyl}-1,2-Dimethyl-1h-Pyrrole-3-Carboxylic Acid; SCHEMBL11021885; BDBM50393833; BM-903; Q27449809
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| Structure |
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Download2D MOL
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| Formula |
C47H50ClN7O6S2
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| Canonical SMILES |
CC1=C(C(=C(N1C)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)NC(CCN(C)C)CSC7=CC=CC=C7)[N+](=O)[O-])C(=O)O
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| InChI |
1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/m1/s1
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| InChIKey |
IUXZRSUDCUOHPK-DIPNUNPCSA-N
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| PubChem Compound ID | ||||
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