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GPCR

NameHistamine H4 receptor
SpeciesMus musculus (Mouse)
GeneHrh4
SynonymGPCR105
H4 receptor
H4R
HH4R
DiseaseN/A for non-human GPCRs
Length391
Amino acid sequenceMSESNSTGILPPAAQVPLAFLMSSFAFAIMVGNAVVILAFVVDRNLRHRSNYFFLNLAISDFLVGLISIPLYIPHVLFNWNFGSGICMFWLITDYLLCTASVYNIVLISYDRYQSVSNAVSYRAQHTGIMKIVAQMVAVWILAFLVNGPMILASDSWKNSTNTKDCEPGFVTEWYILTITMLLEFLLPVISVAYFNVQIYWSLWKRRALSRCPSHAGFSTTSSSASGHLHRAGVACRTSNPGLKESAASRHSESPRRKSSILVSLRTHMNSSITAFKVGSFWRSESAALRQREYAELLRGRKLARSLAILLSAFAICWAPYCLFTIVLSTYPRTERPKSVWYSIAFWLQWFNSFVNPFLYPLCHRRFQKAFWKILCVTKQPALSQNQSVSS
UniProtQ91ZY2
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5657
IUPHAR265
DrugBankN/A

Ligand

NameSCHEMBL4054703
Molecular formulaC22H29N5
IUPAC name4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-9-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight363.509
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsCHEMBL1082549
Inchi KeyKMYVBYYBQAUEAL-HHBDYARMSA-N
Inchi IDInChI=1S/C22H29N5/c23-22-25-20-17(15-7-2-1-3-8-15)10-4-5-11-18(20)21(26-22)27-13-16-9-6-12-24-19(16)14-27/h1-3,7-8,16-17,19,24H,4-6,9-14H2,(H2,23,25,26)/t16-,17?,19+/m1/s1
PubChem CID44462955
ChEMBLCHEMBL1082549
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb7.9 -PMID20171098ChEMBL

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