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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

NameS33084
Molecular formulaC29H29N3O2
IUPAC nameN-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
Molecular weight451.57
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsS-33084
D0K5EE
S 33084
GTPL129
CHEMBL65280
[ Show all ]
Inchi KeyQQJHRQZZCNYDMX-VPUSJEBWSA-N
Inchi IDInChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
PubChem CID9868452
ChEMBLCHEMBL65280
IUPHAR129
BindingDB85672
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki29.51 nMPMID14978194BindingDB
Ki31.62 nMPMID10869410, PMID10450981BindingDB,ChEMBL
Ki32.0 nMPMID10450981BindingDB
Ki52.48 nMPMID10869410BindingDB

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