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Name | DPDPE |
---|---|
Molecular formula | C30H39N5O7S2 |
IUPAC name | (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid |
Molecular weight | 645.79 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 7 |
XlogP | -0.6 |
Synonyms | 1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid, 13-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-, (4S,7S,13S)- AC1Q5JTC CTK8E0439 D-Valine, 3-mercapto-N-(N-(N-(3-mercapto-N-L-tyrosyl-D-valyl)glycyl)-L-phenylalanyl)- DPDPE-OH [ Show all ] |
Inchi Key | MCMMCRYPQBNCPH-WMIMKTLMSA-N |
Inchi ID | InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1 |
PubChem CID | 104787 |
ChEMBL | CHEMBL31421 |
IUPHAR | 1608 |
BindingDB | 21008 |
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 |
---|---|---|---|---|---|
202152 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
202158 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
202162 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
461000 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
202155 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
202157 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
202161 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
202153 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
202154 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
202156 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
202160 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
202159 | Neuropeptides B/W receptor type 1 | P48145 | NPBWR1 | Homo sapiens (Human) | 328 |
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