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 DMFold 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
SpeciesRattus norvegicus (Rat)
GeneDrd4
SynonymD(2C) dopamine receptor
D4 receptor
D4R
Dopamine D4 receptor
dopamine receptor 4
DiseaseN/A for non-human GPCRs
Length387
Amino acid sequenceMGNSSATGDGGLLAGRGPESLGTGTGLGGAGAAALVGGVLLIGMVLAGNSLVCVSVASERILQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVAAPVVCGLNDVPGRDPTVCCLEDRDYVVYSSICSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPLFSDCPPPSPSLRTSPTVSSRPESDLSQSPCSPGCLLPDAALAQPPAPSSRRKRGAKITGRERKAMRVLPVVVGAFLMCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC
UniProtP30729
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3361
IUPHAR217
DrugBankN/A

Ligand

NameCHEMBL2037520
Molecular formulaC24H25ClN4O2S
IUPAC name3-[1-[5-(1,3-benzothiazol-2-yl)-5-oxopentyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
Molecular weight469.0
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50384961
Inchi KeyCWYDVWDIVIJIOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN4O2S/c25-16-8-9-20-19(15-16)27-24(31)29(20)17-10-13-28(14-11-17)12-4-3-6-21(30)23-26-18-5-1-2-7-22(18)32-23/h1-2,5,7-9,15,17H,3-4,6,10-14H2,(H,27,31)
PubChem CID60167451
ChEMBLCHEMBL2037520
IUPHARN/A
BindingDB50384961
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1710.0 nMPMID22520153BindingDB,ChEMBL

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