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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameDelta-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRD1
SynonymDOP
OP1
DOR-1
DOR
D-OR-1
[ Show all ]
DiseaseUrinary incontinence
Rheumatoid arthritis
Premature ejaculation
Pain
Overactive bladder disorder
[ Show all ]
Length372
Amino acid sequenceMEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProtP41143
Protein Data Bank4n6h, 4rwd, 4rwa
GPCR-HGmod modelP41143
3D structure modelThis structure is from PDB ID 4n6h.
BioLiPBL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700, BL0303696,BL0303697
Therapeutic Target DatabaseT58992
ChEMBLCHEMBL236
IUPHAR317
DrugBankBE0000420

Ligand

NameSCHEMBL14466685
Molecular formulaC27H30N4O4
IUPAC name(1R,9R,10S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Molecular weight474.561
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM148979
US8962646, 1
Inchi KeyAHVXNGYBEDTABI-SACAOSOOSA-N
Inchi IDInChI=1S/C27H30N4O4/c1-31-13-11-26-15-17(32)8-10-27(26,35)21(31)14-16-6-7-18(24(33)23(16)26)25(34)28-12-9-22-29-19-4-2-3-5-20(19)30-22/h2-7,21,33,35H,8-15H2,1H3,(H,28,34)(H,29,30)/t21-,26-,27-/m1/s1
PubChem CID71499220
ChEMBLN/A
IUPHARN/A
BindingDB148979
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki490.0 nMN/ABindingDB

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