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Ligand

NameDADLE
Molecular formulaC29H39N5O7
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 weight569.659
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-1.9
Synonyms(2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-methylpentanoic acid
(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
(2R,5S,11R,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-2-isobutyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic acid
(D-Ala2,D-Leu5)-Enkephalin
2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid
[ Show all ]
Inchi KeyZHUJMSMQIPIPTF-IBURTVSXSA-N
Inchi IDInChI=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 CID6917707
ChEMBLCHEMBL340032
IUPHAR1607
BindingDB21025
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
428858Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
428863Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
428864Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
462856Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
428861Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
428862Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
428866Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
428856Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
428857Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
428859Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
428860Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401
428865Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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