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GPCR

NameD(3) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD3
Synonymdopaminergic receptor D3
D3R
D3 receptor
dopamine D3 receptor
DiseaseUnspecified
Emesis; Gastric motility disorder
Female sexual dysfunction
Male sexual disorders
Psychotic disorders
[ Show all ]
Length400
Amino acid sequenceMASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProtP35462
Protein Data Bank3pbl
GPCR-HGmod modelP35462
3D structure modelThis structure is from PDB ID 3pbl.
BioLiPBL0191566, BL0191567
Therapeutic Target DatabaseT02551
ChEMBLCHEMBL234
IUPHAR216
DrugBankBE0000581

Ligand

NameBP 897
Molecular formulaC26H31N3O2
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
Molecular weight417.553
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsPrestwick2_000559
ZINC3917109
192384-87-5
BCP06934
BRD-K17378184-300-03-4
[ Show all ]
Inchi KeyMNHDKMDLOJSCGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
PubChem CID3038495
ChEMBLCHEMBL25236
IUPHAR7625
BindingDB50119380
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.0 %PMID16335915ChEMBL
Activity56.0 %PMID16759104ChEMBL
EC501.8 nMPMID12361386, PMID16759104BindingDB,ChEMBL
EC502.7 nMPMID15916420BindingDB
EC503.0 nMPMID12930150, PMID15916415BindingDB,ChEMBL
Effect56.0 %PMID12361386ChEMBL
IC501.8 nMPMID15916415BindingDB,ChEMBL
IC503.0 nMPMID15916415BindingDB,ChEMBL
IC5013.0 nMPMID24848155BindingDB
IC5056.0 nMPMID15916415BindingDB,ChEMBL
Kd15.85 nMPMID16335915ChEMBL
Ki0.3 nMPMID21495689BindingDB,ChEMBL
Ki0.67 nMPMID26723530BindingDB
Ki0.67 nMPMID26723530ChEMBL
Ki0.91 nMPMID17826096BindingDB,ChEMBL
Ki0.92 nMPMID12930150, PMID15916415BindingDB,ChEMBL
Ki0.92 nMPMID15916415BindingDB
Ki1.0 nMPMID10432116IUPHAR
Ki1.3 nMPMID15916420, PMID16759104BindingDB,ChEMBL
Ki1.4 nMPMID12361386, PMID19081257BindingDB,ChEMBL
Ki1.4 nMPMID19081257PDSP
Ki1.413 nMPMID17266201ChEMBL
Ki4.6 nMPMID16335915BindingDB,ChEMBL
Stimulation55.0 %PMID15916415ChEMBL

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