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Ligand

NameTIPP-psi
Molecular formulaC37H40N4O5
IUPAC name(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Molecular weight620.75
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.3
SynonymsTIPPpsi
159992-07-1
(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
TIPP(psi)
AC1NSKPF
[ Show all ]
Inchi KeyRPKMHCAOERKVEC-DYTOPAQESA-N
Inchi IDInChI=1S/C37H40N4O5/c38-32(19-27-15-17-31(42)18-16-27)36(44)41-24-29-14-8-7-13-28(29)22-30(41)23-39-33(20-25-9-3-1-4-10-25)35(43)40-34(37(45)46)21-26-11-5-2-6-12-26/h1-18,30,32-34,39,42H,19-24,38H2,(H,40,43)(H,45,46)/t30-,32-,33-,34-/m0/s1
PubChem CID5311481
ChEMBLCHEMBL3038183
IUPHAR1637
BindingDB85328
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
301935Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
301938Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
301939Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
461808Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
301934Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
301936Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
301937Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
301940Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
556666Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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