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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

NameCHEMBL64861
Molecular formulaC29H39BrN4O4
IUPAC name(2S)-1-[(3-bromophenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid
Molecular weight587.559
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50280914
SCHEMBL7378861
1-[(3-Bromo-phenyl)-phenyl-carbamoyl]-4-dipentylcarbamoyl-piperazine-2-carboxylic acid
Inchi KeyBPEKKOHQNKHLFT-SANMLTNESA-N
Inchi IDInChI=1S/C29H39BrN4O4/c1-3-5-10-17-31(18-11-6-4-2)28(37)32-19-20-33(26(22-32)27(35)36)29(38)34(24-14-8-7-9-15-24)25-16-12-13-23(30)21-25/h7-9,12-16,21,26H,3-6,10-11,17-20,22H2,1-2H3,(H,35,36)/t26-/m0/s1
PubChem CID44303887
ChEMBLCHEMBL64861
IUPHARN/A
BindingDB50280914
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
IC5059000.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:10:2023BindingDB,ChEMBL

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