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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL344093
Molecular formulaC30H30N6O3S
IUPAC namemethyl 3-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]thiophene-2-carboxylate
Molecular weight554.669
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
Synonyms3-{4-Butyl-2-methyl-6-oxo-5-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-6H-pyrimidin-1-ylmethyl}-thiophene-2-carboxylic acid methyl ester
3-[[4-Butyl-2-methyl-5-[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-6-oxopyrimidin-1(6H)-yl]methyl]thiophene-2-carboxylic acid methyl ester
BDBM50029899
Inchi KeyFTUWAJHINSCXPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-22-15-16-40-27(22)30(38)39-3)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
PubChem CID10650393
ChEMBLCHEMBL344093
IUPHARN/A
BindingDB50029899
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<4.0 nMPMID7490730BindingDB,ChEMBL

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