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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

NameD(4) dopamine receptor
SpeciesMus musculus (Mouse)
GeneDrd4
Synonymd(2C) dopamine receptor
D4 receptor
D4R
Dopamine D4 receptor
dopamine receptor 4
DiseaseN/A for non-human GPCRs
Length387
Amino acid sequenceMGNSSATEDGGLLAGRGPESLGTGAGLGGAGAAALVGGVLLIGLVLAGNSLVCVSVASERTLQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVASPVVCGLNDVPGRDPAVCCLENRDYVVYSSVCSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPFFPDCPPPLPSLRTSPSDSSRPESELSQRPCSPGCLLADAALPQPPEPSSRRRRGAKITGRERKAMRVLPVVVGAFLVCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC
UniProtP51436
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2574
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3986651
Molecular formulaC22H28N2O3
IUPAC name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]morpholine
Molecular weight368.477
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsUS9079895, 25s
BDBM186937
ROKNCKQMECSPFV-NRFANRHFSA-N
(S)-4-(2-(Indolin-1-yl)ethyl)-2-((3-methoxyphenoxy)methyl)morpholine
SCHEMBL14061752
Inchi KeyROKNCKQMECSPFV-NRFANRHFSA-N
Inchi IDInChI=1S/C22H28N2O3/c1-25-19-6-4-7-20(15-19)27-17-21-16-23(13-14-26-21)11-12-24-10-9-18-5-2-3-8-22(18)24/h2-8,15,21H,9-14,16-17H2,1H3/t21-/m0/s1
PubChem CID71062708
ChEMBLCHEMBL3986651
IUPHARN/A
BindingDB186937
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3362.0 nM, NoneBindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417