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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

NameCHEMBL62754
Molecular formulaC30H42N4O5
IUPAC name(2S)-4-(dipentylcarbamoyl)-1-[(3-methoxyphenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid
Molecular weight538.689
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50280925
4-Dipentylcarbamoyl-1-[(3-methoxy-phenyl)-phenyl-carbamoyl]-piperazine-2-carboxylic acid
Inchi KeyAESSEABGCWSSDX-MHZLTWQESA-N
Inchi IDInChI=1S/C30H42N4O5/c1-4-6-11-18-31(19-12-7-5-2)29(37)32-20-21-33(27(23-32)28(35)36)30(38)34(24-14-9-8-10-15-24)25-16-13-17-26(22-25)39-3/h8-10,13-17,22,27H,4-7,11-12,18-21,23H2,1-3H3,(H,35,36)/t27-/m0/s1
PubChem CID44303885
ChEMBLCHEMBL62754
IUPHARN/A
BindingDB50280925
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
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:10:2023BindingDB,ChEMBL

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