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GPCR

NameDelta-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprd1
SynonymOP1
MSL-2
K56
DOR-1
DOR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMELVPSARAELQSSPLVNLSDAFPSAFPSAGANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRTPCGRQEPGSLRRPRQATTRERVTACTPSDGPGGGAAA
UniProtP32300
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3222
IUPHAR317
DrugBankN/A

Ligand

NameCHEMBL307614
Molecular formulaC31H41N5O7S2
IUPAC name(4S,7S,13S)-13-[[(2R,3S)-2-amino-3-(4-hydroxyphenyl)butanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight659.817
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-0.3
Synonyms13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid
BDBM50000803
Inchi KeyABAHQIMHTWGRPU-OUZCYRFOSA-N
Inchi IDInChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23+,24-,25-/m0/s1
PubChem CID44316421
ChEMBLCHEMBL307614
IUPHARN/A
BindingDB50000803
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.

Experimental Data

ParameterValueReferenceDatabase source
IC50698.0 nMPMID1320122BindingDB
IC50698.0 nMPMID1320122ChEMBL

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