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Name | SCHEMBL10316439 |
---|---|
Molecular formula | C37H55N7O6 |
IUPAC name | 4-amino-1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-(methylamino)hexanoyl]piperidine-4-carboxylic acid |
Molecular weight | 693.89 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 7 |
XlogP | -0.1 |
Synonyms | US9359399, 3 BDBM235793 |
Inchi Key | DHKPJPUVNZWGFO-OMRVPHBLSA-N |
Inchi ID | InChI=1S/C37H55N7O6/c1-25(2)22-30(33(46)41-29(16-10-11-19-40-3)35(48)44-20-17-37(39,18-21-44)36(49)50)43-34(47)31(24-27-14-8-5-9-15-27)42-32(45)28(38)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-31,40H,10-11,16-24,38-39H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)(H,49,50)/t28-,29-,30-,31-/m1/s1 |
PubChem CID | 53380393 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 235793 |
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 |
---|---|---|---|---|---|
559131 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
559132 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
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