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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

NameCHEMBL352502
Molecular formulaC37H38N4O6S
IUPAC name3-methylbutyl N-[2-[4-[(6-benzamido-4-oxo-2-propylquinazolin-3-yl)methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight666.793
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50282469
Inchi KeyCIHDNNQJOZYLEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H38N4O6S/c1-4-10-34-39-32-20-19-29(38-35(42)28-11-6-5-7-12-28)23-31(32)36(43)41(34)24-26-15-17-27(18-16-26)30-13-8-9-14-33(30)48(45,46)40-37(44)47-22-21-25(2)3/h5-9,11-20,23,25H,4,10,21-22,24H2,1-3H3,(H,38,42)(H,40,44)
PubChem CID44381426
ChEMBLCHEMBL352502
IUPHARN/A
BindingDB50282469
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
IC500.35 nMN/ABindingDB
IC500.35 nMBioorg. Med. Chem. Lett., (1994) 4:1:81ChEMBL

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