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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

NameCHEMBL3939830
Molecular formulaC23H25F3N6S
IUPAC name(2S,3S)-5-[3-[(4-methyl-5-pyridazin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
Molecular weight474.55
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.3
SynonymsSCHEMBL19629527
BDBM50192234
Inchi KeyACKJXZGTUCARLB-UGKGYDQZSA-N
Inchi IDInChI=1S/C23H25F3N6S/c1-31-20(17-7-9-27-28-14-17)29-30-21(31)33-12-2-10-32-11-8-22(15-32)13-19(22)16-3-5-18(6-4-16)23(24,25)26/h3-7,9,14,19H,2,8,10-13,15H2,1H3/t19-,22-/m0/s1
PubChem CID132156264
ChEMBLCHEMBL3939830
IUPHARN/A
BindingDB50192234
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki35.0 nMPMID27564135BindingDB
Ki35.48 nMPMID27564135ChEMBL

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