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Name | DADLE |
---|---|
Molecular formula | C29H39N5O7 |
IUPAC name | (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 569.659 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 7 |
XlogP | -1.9 |
Synonyms | C-54714 DADLE-OH SCHEMBL11124725 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid 63631-40-3 [ Show all ] |
Inchi Key | ZHUJMSMQIPIPTF-IBURTVSXSA-N |
Inchi ID | InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 |
PubChem CID | 6917707 |
ChEMBL | CHEMBL340032 |
IUPHAR | 1607 |
BindingDB | 21025 |
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 |
---|---|---|---|---|---|
428858 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
428863 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
428864 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
462856 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
428861 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
428862 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
428866 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
428856 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
428857 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
428859 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
428860 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
428865 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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