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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

NameCHEMBL169322
Molecular formulaC18H25NO2
IUPAC name(4aR,11bR)-4-(2-methylpropyl)-2,3,4a,5,6,8,9,11b-octahydro-[1]benzofuro[5,6-h][1,4]benzoxazine
Molecular weight287.403
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50215093
Inchi KeyAAIDTVFHOXBFSJ-SJLPKXTDSA-N
Inchi IDInChI=1S/C18H25NO2/c1-12(2)11-19-6-8-21-18-15-10-17-14(5-7-20-17)9-13(15)3-4-16(18)19/h9-10,12,16,18H,3-8,11H2,1-2H3/t16-,18-/m1/s1
PubChem CID44382118
ChEMBLCHEMBL169322
IUPHARN/A
BindingDB50215093
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki125.89 nMBioorg. Med. Chem. Lett., (1997) 7:7:881ChEMBL
Ki126.0 nMN/ABindingDB

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