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Ligand

NameDeltorphin I
Molecular formulaC37H52N8O10
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight768.869
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-1.7
SynonymsTyr-d-Ala-Phe-Asp-Val-Val-Gly-NH(2)
(S)-4-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-((S)-2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)-3-phenylpropanamido)-4-oxobutanoic acid
C18097
DTXSID10153692
HY-P1336
[ Show all ]
Inchi KeyCJAORFIPPWIGPG-QXYJMILXSA-N
Inchi IDInChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
PubChem CID10055958
ChEMBLCHEMBL317956
IUPHARN/A
BindingDB50001468
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43122Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
43123Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
43125Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
43127Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
43129Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
43121Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
43124Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
43126Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
43128Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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