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GPCR

NameD(2) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD2
Synonymdopamine receptor 2
Dopamine D2 receptor
D2R
D2A and D2B
D2(415) and D2(444)
[ Show all ]
DiseaseSubstance dependence
Major depressive disorder
Maintain blood pressure in hypotensive states
Insomnia
Inflammatory disease
[ 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

NameCHEMBL201177
Molecular formulaC21H24N2
IUPAC name3-methyl-7-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
Molecular weight304.437
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50180907
1,2,3,4,5,6,7,8-Octahydro-3-methyl-7-phenylazonino[5,4-b]indole
SCHEMBL11823184
AEHACZVHKAVVDK-UHFFFAOYSA-N
3-methyl-7-phenyl-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indole
[ Show all ]
Inchi KeyAEHACZVHKAVVDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2/c1-23-14-7-11-17(16-8-3-2-4-9-16)21-19(13-15-23)18-10-5-6-12-20(18)22-21/h2-6,8-10,12,17,22H,7,11,13-15H2,1H3
PubChem CID21555004
ChEMBLCHEMBL201177
IUPHARN/A
BindingDB50180907
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID16420061BindingDB,ChEMBL

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