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GPCR

NameHistamine H1 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH1
SynonymH1R
HH1R
DiseaseN/A for non-human GPCRs
Length488
Amino acid sequenceMSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP
UniProtP31389
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3943
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL277848
Molecular formulaC34H46N8O5
IUPAC nameN-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexyl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
Molecular weight646.793
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50404167
N-[6-[Methyl[2-[2-pyridinyl(4-methoxybenzyl)amino]ethyl]amino]hexyl]-6-(7-nitro-2,1,3-benzoxadiazole-4-ylamino)hexanamide
Inchi KeyCCLANJAQOUQKCP-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H46N8O5/c1-40(24-25-41(31-12-7-10-21-36-31)26-27-14-16-28(46-2)17-15-27)23-11-4-3-8-22-37-32(43)13-6-5-9-20-35-29-18-19-30(42(44)45)34-33(29)38-47-39-34/h7,10,12,14-19,21,35H,3-6,8-9,11,13,20,22-26H2,1-2H3,(H,37,43)
PubChem CID10484346
ChEMBLCHEMBL277848
IUPHARN/A
BindingDB50404167
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kd1.95 nMPMID12657255BindingDB,ChEMBL

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