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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

NameCHEMBL281318
Molecular formulaC38H44N10O4S2
IUPAC nameN-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-6-[[2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetyl]amino]hexanamide
Molecular weight768.956
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP3.0
SynonymsBDBM50287253
6-(2-{3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-acetylamino)-hexanoic acid [2-(2-guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-amide
Inchi KeyOWBVDAUZBZRFGZ-UMSFTDKQSA-N
Inchi IDInChI=1S/C38H44N10O4S2/c1-48-30-16-8-7-15-29(30)33(26-12-4-2-5-13-26)45-34(35(48)51)46-37(52)43-27-14-10-11-25(21-27)22-32(50)41-18-9-3-6-17-31(49)42-19-20-53-23-28-24-54-38(44-28)47-36(39)40/h2,4-5,7-8,10-16,21,24,34H,3,6,9,17-20,22-23H2,1H3,(H,41,50)(H,42,49)(H2,43,46,52)(H4,39,40,44,47)/t34-/m0/s1
PubChem CID44280028
ChEMBLCHEMBL281318
IUPHARN/A
BindingDB50287253
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Kd1000.0 nMBioorg. Med. Chem. Lett., (1996) 6:13:1421ChEMBL

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