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GPCR

NameHistamine H2 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh2
Synonymgastric receptor I
H2 receptor
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length358
Amino acid sequenceMEPNGTVHSCCLDSMALKVTISVVLTTLILITIAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVLPFSAIYQLSFTWSFGHVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGLVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEAVEGIVLWLGYANSALNPILYAALNRDFRTAYQQLFHCKFASHNSHKTSLRLNNSLLPRSQSREGRWQEEKPLKLQVWSGTELTHPQGNPIR
UniProtP25102
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4654
IUPHAR263
DrugBankN/A

Ligand

NameCHEMBL30430
Molecular formulaC32H33N9O3S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetamide
Molecular weight655.796
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.7
SynonymsBDBM50287248
N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-2-{3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-acetamide
Inchi KeyIXKLVQSHOHLDCH-NDEPHWFRSA-N
Inchi IDInChI=1S/C32H33N9O3S2/c1-41-25-13-6-5-12-24(25)27(21-9-3-2-4-10-21)38-28(29(41)43)39-31(44)36-22-11-7-8-20(16-22)17-26(42)35-14-15-45-18-23-19-46-32(37-23)40-30(33)34/h2-13,16,19,28H,14-15,17-18H2,1H3,(H,35,42)(H2,36,39,44)(H4,33,34,37,40)/t28-/m0/s1
PubChem CID44280180
ChEMBLCHEMBL30430
IUPHARN/A
BindingDB50287248
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd<10000.0 nMBioorg. Med. Chem. Lett., (1996) 6:13:1421ChEMBL

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