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GPCR

NameD(2) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD2
Synonymdopamine receptor 2
D2R
D2A and D2B
D2 receptor
D2(415) and D2(444)
[ Show all ]
DiseaseNausea; Vomiting
Nasal congestion
Migraine headaches
Malignant phaeochromocytoma; Benign prostatic hypertrophy; Malignant essential hypertension
Major depressive disorder
[ Show all ]
Length443
Amino acid sequenceMDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProtP14416
Protein Data Bank6cm4, 6c38
GPCR-HGmod modelP14416
3D structure modelThis structure is from PDB ID 6cm4.
BioLiPBL0408379, BL0403379
Therapeutic Target DatabaseT67162
ChEMBLCHEMBL217
IUPHAR215
DrugBankBE0000756

Ligand

NameCHEMBL243744
Molecular formulaC29H41N3O
IUPAC name6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Molecular weight447.667
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM21381
Piperazinehexanamide derivative, 19
6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Inchi KeyCPWLTNLRAGBWKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
PubChem CID23643663
ChEMBLCHEMBL243744
IUPHARN/A
BindingDB21381
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki15.0 nMPMID17649988ChEMBL
Ki15.0 nMPMID17649988BindingDB

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