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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

NameCHEMBL353615
Molecular formulaC34H41N5O6S
IUPAC namebutyl N-[2-[4-[[6-(butylcarbamoylamino)-4-oxo-2-propylquinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight647.791
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.5
SynonymsBDBM50282465
L007601
Inchi KeyAXWZMGIKSLDBDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H41N5O6S/c1-4-7-20-35-33(41)36-26-18-19-29-28(22-26)32(40)39(31(37-29)11-6-3)23-24-14-16-25(17-15-24)27-12-9-10-13-30(27)46(43,44)38-34(42)45-21-8-5-2/h9-10,12-19,22H,4-8,11,20-21,23H2,1-3H3,(H,38,42)(H2,35,36,41)
PubChem CID44210585
ChEMBLCHEMBL353615
IUPHARN/A
BindingDB50282465
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
IC500.25 nMBioorg. Med. Chem. Lett., (1994) 4:1:81ChEMBL
IC500.25 nMN/ABindingDB

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