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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

NameCHEMBL91605
Molecular formulaC25H34FN7O2
IUPAC name4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight483.592
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50408197
Inchi KeyJEHYIUUKVDHKND-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34FN7O2/c1-17-22-23(19(25(34)30(2)3)16-28-24(22)31(4)29-17)27-9-6-10-32-11-13-33(14-12-32)20-8-7-18(26)15-21(20)35-5/h7-8,15-16H,6,9-14H2,1-5H3,(H,27,28)
PubChem CID10624682
ChEMBLCHEMBL91605
IUPHARN/A
BindingDB50408197
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki398.0 nMPMID9276013BindingDB
Log Ki6.4 uMPMID9276013ChEMBL

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