Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDF15E
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| Ligand Name |
(2~{s},4~{r})-1-[(2~{s})-2-[(1-Ethanoylcyclopropyl)carbonylamino]-3,3-Dimethyl-Butanoyl]-~{n}-[[4-(4-Methyl-1,3-Thiazol-5-Yl)phenyl]methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide
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| Synonyms |
CHEMBL4228950; (2~{s},4~{r})-1-[(2~{s})-2-[(1-Ethanoylcyclopropyl)carbonylamino]-3,3-Dimethyl-Butanoyl]-~{n}-[[4-(4-Methyl-1,3-Thiazol-5-Yl)phenyl]methyl]-4-Oxidanyl-Pyrrolidine-2-Carboxamide; BDBM50459954; 9BN
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| Structure |
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Download2D MOL |
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| Formula |
C28H36N4O5S
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| Canonical SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C(=O)C)O
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| InChI |
1S/C28H36N4O5S/c1-16-22(38-15-30-16)19-8-6-18(7-9-19)13-29-24(35)21-12-20(34)14-32(21)25(36)23(27(3,4)5)31-26(37)28(10-11-28)17(2)33/h6-9,15,20-21,23,34H,10-14H2,1-5H3,(H,29,35)(H,31,37)/t20-,21+,23-/m1/s1
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| InChIKey |
JNBFSDQPUBSKFV-FUPPJEDESA-N
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| PubChem Compound ID | ||||
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