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GPCR

NameHistamine H2 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH2
SynonymGastric receptor I
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMAFNGTVPSFCMDFTVYKVTISVILIILILVTVAGNVVVCLAVGLNRRLRSLTNCFIVSLAVTDLLLGLLVLPFSAIYQLSCKWSFSKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLITPARVAISLVFIWVISITLSFLSIHLGWNSRNETSKDNDTIVKCKVQVNEVYGLVDGLVTFYLPLLIMCITYFRIFKIAREQARRINHIGSWKAATIREHKATVTLAAVMGAFIICWFPYFTVFVYRGLKGDDAVNEVFEDVVLWLGYANSALNPILYAALNRDFRTAYHQLFCCRLASHNSHETSLRLNNSQLNRSQCQEPRWQEDKPLNLQVWSGTEVTAPQGATNR
UniProtP47747
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2882
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL297627
Molecular formulaC40H42N6O7
IUPAC name5-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethylcarbamoyl]-2-(3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid
Molecular weight718.811
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP1.8
SynonymsBDBM50404037
Inchi KeyCCMLYXNWTPSPTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H42N6O7/c41-25-45-40(43-14-5-19-52-30-7-4-6-26(20-30)24-46-17-2-1-3-18-46)44-16-15-42-38(49)27-8-11-31(34(21-27)39(50)51)37-32-12-9-28(47)22-35(32)53-36-23-29(48)10-13-33(36)37/h4,6-13,20-23,32,37,48H,1-3,5,14-19,24H2,(H,42,49)(H,50,51)(H2,43,44,45)
PubChem CID44292856
ChEMBLCHEMBL297627
IUPHARN/A
BindingDB50404037
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd66069.3 nMPMID12729649BindingDB,ChEMBL

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