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Name | CHEMBL3965992 |
---|---|
Molecular formula | C42H56N8O5 |
IUPAC name | (2S)-N-[(2S)-6-amino-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide |
Molecular weight | 752.961 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 3.8 |
Synonyms | N/A |
Inchi Key | BPXPUEDLWGZNNF-ZYXDSXQBSA-N |
Inchi ID | InChI=1S/C42H56N8O5/c1-28(2)25-35(47-40(53)36(27-30-15-7-4-8-16-30)46-38(51)32(44)26-29-13-5-3-6-14-29)39(52)45-34(18-11-12-22-43)41(54)49-23-20-31(21-24-49)50-37-19-10-9-17-33(37)48-42(50)55/h3-10,13-17,19,28,31-32,34-36H,11-12,18,20-27,43-44H2,1-2H3,(H,45,52)(H,46,51)(H,47,53)(H,48,55)/t32-,34-,35-,36-/m0/s1 |
PubChem CID | 134151083 |
ChEMBL | CHEMBL3965992 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
548215 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
548216 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
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