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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL347050
Molecular formulaC26H25N5O3
IUPAC name2-[[4-[(3-butyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)methyl]phenyl]carbamoyl]benzoic acid
Molecular weight455.518
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50047837
L004727
N-[4-(3-Butyl-5-pyridin-4-yl-[1,2,4]triazol-4-ylmethyl)-phenyl]-phthalamic acid
SCHEMBL9402379
Inchi KeyBMEBBGQUNYZRDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N5O3/c1-2-3-8-23-29-30-24(19-13-15-27-16-14-19)31(23)17-18-9-11-20(12-10-18)28-25(32)21-6-4-5-7-22(21)26(33)34/h4-7,9-16H,2-3,8,17H2,1H3,(H,28,32)(H,33,34)
PubChem CID10456700
ChEMBLCHEMBL347050
IUPHARN/A
BindingDB50047837
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC501400.0 nMMed Chem Res, (2012) 21:9:2307, PMID8496939BindingDB,ChEMBL

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