Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDK61B
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| Ligand Name |
N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid
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| Synonyms |
CHEMBL4790375; N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid; BDBM50557568; V9V
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| Structure |
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Download2D MOL |
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| Formula |
C19H20N4O6S2
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| Canonical SMILES |
C1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCCC2=CC3=C(S2)N=C(NC3=O)N
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| InChI |
1S/C19H20N4O6S2/c20-19-22-15(26)11-8-10(31-17(11)23-19)3-1-2-9-4-6-13(30-9)16(27)21-12(18(28)29)5-7-14(24)25/h4,6,8,12H,1-3,5,7H2,(H,21,27)(H,24,25)(H,28,29)(H3,20,22,23,26)/t12-/m0/s1
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| InChIKey |
VCNJYHGDMDELAI-LBPRGKRZSA-N
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| PubChem Compound ID | ||||
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