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Name | CHEMBL3978743 |
---|---|
Molecular formula | C34H51N9O4 |
IUPAC name | (2S)-N-[(2S)-4-amino-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-1-oxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide |
Molecular weight | 649.841 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 7 |
XlogP | 1.1 |
Synonyms | N/A |
Inchi Key | FJZYPXQIWZSVAU-DZUOILHNSA-N |
Inchi ID | InChI=1S/C34H51N9O4/c1-23(2)20-28(31(45)39-27(14-15-35)33(47)42-16-9-17-43(19-18-42)34(37)38)41-32(46)29(22-25-12-7-4-8-13-25)40-30(44)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,35-36H2,1-2H3,(H3,37,38)(H,39,45)(H,40,44)(H,41,46)/t26-,27-,28-,29-/m0/s1 |
PubChem CID | 134151437 |
ChEMBL | CHEMBL3978743 |
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 |
---|---|---|---|---|---|
548841 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
548842 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
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