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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

NameCHEMBL104201
Molecular formulaC20H20N4
IUPAC name2-[[1-(1-benzylpiperidin-4-yl)pyrrol-3-yl]methylidene]propanedinitrile
Molecular weight316.408
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.7
Synonyms2-[1-(1-Benzyl-4-piperidinyl)-1H-pyrrole-3-ylmethylene]malononitrile
BDBM50082173
2-[1-(1-Benzyl-piperidin-4-yl)-1H-pyrrol-3-ylmethylene]-malononitrile
Inchi KeyBUGYAANIQPCORQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20N4/c21-13-19(14-22)12-18-6-11-24(16-18)20-7-9-23(10-8-20)15-17-4-2-1-3-5-17/h1-6,11-12,16,20H,7-10,15H2
PubChem CID44336571
ChEMBLCHEMBL104201
IUPHARN/A
BindingDB50082173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7000.0 nMPMID10560741BindingDB,ChEMBL

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