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GPCR

NameD(2) dopamine receptor
SpeciesChlorocebus aethiops (Green monkey)
GeneDRD2
SynonymDopamine D2 receptor
DiseaseN/A for non-human GPCRs
Length443
Amino acid sequenceMDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSKIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRSHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKNHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProtP52702
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5456
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL446892
Molecular formulaC23H23F3N2O
IUPAC name1-[(1-phenylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Molecular weight400.445
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
Synonyms1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
BDBM50048232
4-[3-(Trifluoromethyl)phenyl]-1-[(1-phenyl-1H-pyrrol-3-yl)methyl]piperidin-4-ol
Inchi KeyTVQJPTVBALUGFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23F3N2O/c24-23(25,26)20-6-4-5-19(15-20)22(29)10-13-27(14-11-22)16-18-9-12-28(17-18)21-7-2-1-3-8-21/h1-9,12,15,17,29H,10-11,13-14,16H2
PubChem CID10597114
ChEMBLCHEMBL446892
IUPHARN/A
BindingDB50048232
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki237.0 nMPMID8523409BindingDB,ChEMBL

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