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Ligand

NameDPDPE
Molecular formulaC30H39N5O7S2
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 weight645.79
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-0.6
Synonyms2,5-Pen-enkephalin
(D-Pen2,D-Pen5)-Enkephalin
Enkephalin, D-penicillamine (2,5)-
(4s,7s,13s)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
DPLPE
[ Show all ]
Inchi KeyMCMMCRYPQBNCPH-WMIMKTLMSA-N
Inchi IDInChI=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 CID104787
ChEMBLCHEMBL31421
IUPHAR1608
BindingDB21008
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
202152Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
202158Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
202162Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
461000Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
202155Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
202157Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
202161Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
202153Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
202154Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
202156Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
202160Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
202159Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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