Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

NameCHEMBL415223
Molecular formulaC37H44N2O2
IUPAC nameN-[(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-methyl-2-[(E)-3-(2-methylphenyl)prop-2-enyl]-2-azabicyclo[3.3.1]nonan-7-yl]-1-phenylcyclopentane-1-carboxamide
Molecular weight548.771
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP8.1
Synonyms(+)-N-{(1S,4R,5R,7S)-5-(3-hydroxyphenyl)-4-methyl-2-[3-(2-methylphenyl)prop-2-en-1-yl]-2-azabicyclo[3.3.1]non-7-yl}-1-phenylcyclopentanecarboxamide
BDBM50194224
Inchi KeyADQGIQSGEOKLRL-RAGWYKPHSA-N
Inchi IDInChI=1S/C37H44N2O2/c1-27-12-6-7-13-29(27)14-11-21-39-26-28(2)37(31-17-10-18-34(40)22-31)24-32(23-33(39)25-37)38-35(41)36(19-8-9-20-36)30-15-4-3-5-16-30/h3-7,10-18,22,28,32-33,40H,8-9,19-21,23-26H2,1-2H3,(H,38,41)/b14-11+/t28-,32+,33+,37+/m0/s1
PubChem CID16082913
ChEMBLCHEMBL415223
IUPHARN/A
BindingDB50194224
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity70.0 %PMID16942033ChEMBL
IC500.5 nMPMID16942033BindingDB
IC500.5 nMPMID16942033ChEMBL
Ke0.33 nMPMID16942033ChEMBL

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218