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Ligand

NameCHEMBL258704
Molecular formulaC29H30N4O3S
IUPAC name(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight514.644
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50375296
D08CXZ
H-Dmt-Tic-NH-CH2-Bta
Inchi KeyAWMRTINMSUQIBM-ZCYQVOJMSA-N
Inchi IDInChI=1S/C29H30N4O3S/c1-17-11-21(34)12-18(2)22(17)14-23(30)29(36)33-16-20-8-4-3-7-19(20)13-25(33)28(35)31-15-27-32-24-9-5-6-10-26(24)37-27/h3-12,23,25,34H,13-16,30H2,1-2H3,(H,31,35)/t23-,25-/m0/s1
PubChem CID44451667
ChEMBLCHEMBL258704
IUPHARN/A
BindingDB50375296
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16168Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
16169Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
16167Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
16170Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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