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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

NameCHEMBL453934
Molecular formulaC35H34N6
IUPAC name1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
Molecular weight538.699
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.4
Synonyms4''-{[2-n-propyl-4-methyl-6-(1-methylbenzoimidazol-2-yl)benzoimidazol-1-yl]methyl}-2-(1H-imidazoline-2-yl)biphenyl
BDBM50292633
Inchi KeyGQMRFIMBKDRSJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H34N6/c1-4-9-32-39-33-23(2)20-26(35-38-29-12-7-8-13-30(29)40(35)3)21-31(33)41(32)22-24-14-16-25(17-15-24)27-10-5-6-11-28(27)34-36-18-19-37-34/h5-8,10-17,20-21H,4,9,18-19,22H2,1-3H3,(H,36,37)
PubChem CID25147556
ChEMBLCHEMBL453934
IUPHARN/A
BindingDB50292633
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
IC502.9 nMPMID21071232BindingDB,ChEMBL
IC50290.0 nMPMID18976926BindingDB,ChEMBL

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