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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

NameCHEMBL62157
Molecular formulaC27H52N4O4
IUPAC name(2S)-1,4-bis(dipentylcarbamoyl)piperazine-2-carboxylic acid
Molecular weight496.737
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
Synonyms1,4-di(dipentylcarbamoyl)-(2S)-hexahydro-2-pyrazinecarboxylic acid
BDBM50280920
Inchi KeyARVXIHZWEMWLIT-DEOSSOPVSA-N
Inchi IDInChI=1S/C27H52N4O4/c1-5-9-13-17-28(18-14-10-6-2)26(34)30-21-22-31(24(23-30)25(32)33)27(35)29(19-15-11-7-3)20-16-12-8-4/h24H,5-23H2,1-4H3,(H,32,33)/t24-/m0/s1
PubChem CID44304163
ChEMBLCHEMBL62157
IUPHARN/A
BindingDB50280920
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<30000.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:10:2023BindingDB,ChEMBL

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