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GPCR

NameHistamine H3 receptor
SpeciesHomo sapiens (Human)
GeneHRH3
SynonymHH3R
H3R
H3 receptor
GPCR97
G-protein coupled receptor 97
DiseaseObese insulin-resistant disorders
Excessive daytime sleepiness
Sleep disorders
Schizophrenia
Pain
[ Show all ]
Length445
Amino acid sequenceMERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProtQ9Y5N1
Protein Data BankN/A
GPCR-HGmod modelQ9Y5N1
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiPN/A
Therapeutic Target DatabaseT64765
ChEMBLCHEMBL264
IUPHAR264
DrugBankBE0000968

Ligand

NameUNII-10521U3EQA
Molecular formulaC23H31NO3S
IUPAC name(2R)-1-[2-[4-[4-(3-methoxypropylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
Molecular weight401.565
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
Synonyms(R)-1-{2-[4'-(3-METHOXYPROPAN-1-SULFONYL)BIPHENYL-4-YL]ETHYL}-2-METHYLPYRROLIDIN
175638-EP2282992A1
Pyrrolidine, 1-(2-(4'-((3-methoxypropyl)sulfonyl)(1,1'-biphenyl)-4-yl)ethyl)-2-methyl-, (2R)-
ADRZQEOBUFIYAZ-LJQANCHMSA-N
1021169-11-8
[ Show all ]
Inchi KeyADRZQEOBUFIYAZ-LJQANCHMSA-N
Inchi IDInChI=1S/C23H31NO3S/c1-19-5-3-15-24(19)16-14-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28(25,26)18-4-17-27-2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1
PubChem CID24900259
ChEMBLCHEMBL1934523
IUPHARN/A
BindingDB50361233
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.7 nMPMID22172695BindingDB,ChEMBL
Ki4.2 nMPMID22172695BindingDB,ChEMBL

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