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GPCR

NameHistamine H1 receptor
SpeciesHomo sapiens (Human)
GeneHRH1
SynonymHH1R
H1R
Hisr
H1 receptor
DiseaseVertigo's disease; Meniere's disease
Ocular allergy
Obesity
Nausea; Vomiting
Insomnia; Anxiety disorder
[ Show all ]
Length487
Amino acid sequenceMSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProtP35367
Protein Data Bank3rze
GPCR-HGmod modelP35367
3D structure modelThis structure is from PDB ID 3rze.
BioLiPBL0202178, BL0202179, BL0202180
Therapeutic Target DatabaseT77913
ChEMBLCHEMBL231
IUPHAR262
DrugBankBE0000442

Ligand

NameCHEMBL499301
Molecular formulaC21H23N5O
IUPAC nameN-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide
Molecular weight361.449
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.9
SynonymsD0Y9IB
UR-PG153
GTPL1201
N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide
BDBM50413181
Inchi KeyBCIVIRNJAROBHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N5O/c22-21(24-12-11-18-14-23-15-25-18)26-20(27)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,19H,11-13H2,(H,23,25)(H3,22,24,26,27)
PubChem CID25150700
ChEMBLCHEMBL499301
IUPHAR1201
BindingDB50413181
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kb8700.0 nMPMID18950149ChEMBL
Ki19952.6 nMPMID16394198IUPHAR

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