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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

NameCHEMBL11388
Molecular formulaC16H23NO
IUPAC name(3aS,9aR)-5-methoxy-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
Molecular weight245.366
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.6
Synonyms5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
SCHEMBL7499477
BDBM50034324
(3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
(3aS,9aR)-5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
[ Show all ]
Inchi KeyHDCVYYTWHHFQGS-UKRRQHHQSA-N
Inchi IDInChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
PubChem CID10377224
ChEMBLCHEMBL11388
IUPHARN/A
BindingDB50034324
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Intrinsic activity37.0 %PMID8496900, PMID8097538ChEMBL
Ki75.0 nMPMID8496900, PMID8097538BindingDB,ChEMBL
Ki100.0 nMPMID8097538BindingDB,ChEMBL

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