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GPCR

NameDelta-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRD1
SynonymD-OR-1
DOR
opioid receptor
OP1
DOP
[ Show all ]
DiseaseCough
Overactive bladder disorder
Bladder disease
Moderate-to-severe pain
Diarrhea-predominant IBS
[ Show all ]
Length372
Amino acid sequenceMEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProtP41143
Protein Data Bank4rwd, 4rwa, 4n6h
GPCR-HGmod modelP41143
3D structure modelThis structure is from PDB ID 4rwd.
BioLiPBL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target DatabaseT58992
ChEMBLCHEMBL236
IUPHAR317
DrugBankBE0000420

Ligand

NameCHEMBL3582484
Molecular formulaC37H44FN7O7
IUPAC name(2S,5S,8S,16R)-16-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-benzyl-2-[(4-fluorophenyl)methyl]-3,6,10,17-tetraoxo-1,4,7,11-tetrazacycloheptadecane-8-carboxamide
Molecular weight717.799
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP1.5
SynonymsBDBM50096788
Inchi KeyATYCQTCKIKMDME-JZVHMONDSA-N
Inchi IDInChI=1S/C37H44FN7O7/c38-25-13-9-24(10-14-25)20-31-37(52)45-30(19-22-6-2-1-3-7-22)36(51)43-29(33(40)48)21-32(47)41-17-5-4-8-28(35(50)44-31)42-34(49)27(39)18-23-11-15-26(46)16-12-23/h1-3,6-7,9-16,27-31,46H,4-5,8,17-21,39H2,(H2,40,48)(H,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t27-,28+,29-,30-,31-/m0/s1
PubChem CID122179557
ChEMBLCHEMBL3582484
IUPHARN/A
BindingDB50096788
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
EC50457.0 nMPMID26005537BindingDB
EC50457.09 nMPMID26005537ChEMBL
Ratio0.14 -PMID26005537ChEMBL

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