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GPCR

NameHistamine H4 receptor
SpeciesHomo sapiens (Human)
GeneHRH4
SynonymPfi-013
SP9144
HH4R
H4R
H4 receptor
[ Show all ]
DiseaseAllergic rhinitis
Asthma
Inflammatory disease
Rheumatoid arthritis
Length390
Amino acid sequenceMPDTNSTINLSLSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISDFFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYDRYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKDEGSECEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRDHLSRCQSHPGLTAVSSNICGHSFRGRLSSRRSLSASTEVPASFHSERQRRKSSLMFSSRTKMNSNTIASKMGSFSQSDSVALHQREHVELLRARRLAKSLAILLGVFAVCWAPYSLFTIVLSFYSSATGPKSVWYRIAFWLQWFNSFVNPLLYPLCHKRFQKAFLKIFCIKKQPLPSQHSRSVSS
UniProtQ9H3N8
Protein Data BankN/A
GPCR-HGmod modelQ9H3N8
3D structure modelThis predicted structure model is from GPCR-EXP Q9H3N8.
BioLiPN/A
Therapeutic Target DatabaseT26500
ChEMBLCHEMBL3759
IUPHAR265
DrugBankBE0000146

Ligand

NameCHEMBL1915022
Molecular formulaC16H19N5OS
IUPAC name7-methoxy-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine
Molecular weight329.422
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50356833
SCHEMBL604680
Inchi KeyBFXKTIHIMJWWLN-VIFPVBQESA-N
Inchi IDInChI=1S/C16H19N5OS/c1-18-9-5-6-21(8-9)15-14-13(19-16(17)20-15)11-4-3-10(22-2)7-12(11)23-14/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,17,19,20)/t9-/m0/s1
PubChem CID57402512
ChEMBLCHEMBL1915022
IUPHARN/A
BindingDB50356833
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki250.0 nMPMID21920744BindingDB,ChEMBL

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