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(3) dopamine receptor
SpeciesMus musculus (Mouse)
GeneDrd3
SynonymD3 receptor
D3R
dopamine D3 receptor
dopaminergic receptor D3
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMAPLSQISSHINSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYMVLRQRRRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKPYPQKCQDPLLSHLQPLSPGQTHGELKRYYSICQDTALRHPNFEGGGGMSQVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProtP30728
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3441
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3936595
Molecular formulaC20H23N3O3
IUPAC name1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
Molecular weight353.422
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.7
SynonymsUS9079895, 21s
BDBM186930
SCHEMBL14062013
US9079895, 20s
Inchi KeyXYHRHHHLNLGIRG-SFHVURJKSA-N
Inchi IDInChI=1S/C20H23N3O3/c24-20(23-9-7-16-4-1-2-6-19(16)23)14-22-10-11-25-18(13-22)15-26-17-5-3-8-21-12-17/h1-6,8,12,18H,7,9-11,13-15H2/t18-/m0/s1
PubChem CID71062889
ChEMBLCHEMBL3936595
IUPHARN/A
BindingDB186930
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki8359.0 nM, NoneBindingDB,ChEMBL

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