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GPCR

NameD(4) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD4
SynonymD4 receptor
D4R
Dopamine D4 receptor
dopamine receptor 4
d(2C) dopamine receptor
DiseaseErectile dysfunction
Psychotic disorders
Schizophrenia
Length467
Amino acid sequenceMGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProtP21917
Protein Data Bank5wiv, 5wiu
GPCR-HGmod modelP21917
3D structure modelThis structure is from PDB ID 5wiv.
BioLiPBL0394824, BL0394826, BL0394825
Therapeutic Target DatabaseT24983
ChEMBLCHEMBL219
IUPHAR217
DrugBankBE0009376, BE0000389

Ligand

NameCHEMBL94067
Molecular formulaC24H25N
IUPAC name1-methyl-4-(2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-3,6-dihydro-2H-pyridine
Molecular weight327.471
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP5.1
Synonyms4-(5-Isopropylidene-5H-dibenzo[a,d]cyclohepten-10-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
BDBM50036443
5-Isopropylidene-10-[(1-methyl-1,2,3,6-tetrahydropyridin)-4-yl]-5H-dibenzo[a,d]cycloheptene
Inchi KeyBFTXVLUTUUBYLQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N/c1-17(2)24-20-9-5-4-8-19(20)16-23(18-12-14-25(3)15-13-18)21-10-6-7-11-22(21)24/h4-12,16H,13-15H2,1-3H3
PubChem CID10449136
ChEMBLCHEMBL94067
IUPHARN/A
BindingDB50036443
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki150.0 nMPMID8064797ChEMBL
Ki270.0 nMPMID7861418, PMID8064797BindingDB,ChEMBL
Ki2500.0 nMPMID8064797BindingDB,ChEMBL

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