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GPCR

NameType-1 angiotensin II receptor
SpeciesSus scrofa (Pig)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDSIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIHDCKIADIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSENGSSSTKKSAPCTEVE
UniProtP30555
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5743
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL480506
Molecular formulaC29H34N2O5S
IUPAC namebutyl N-[5-benzyl-2-[4-(diethylcarbamoyl)phenyl]phenyl]sulfonylcarbamate
Molecular weight522.66
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50251569
butyl N-({5-benzyl-2-[4-(diethylcarbamoyl)phenyl]benzene}sulfonyl)carbamate
Inchi KeyLFUYQWOQSKHFHV-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N2O5S/c1-4-7-19-36-29(33)30-37(34,35)27-21-23(20-22-11-9-8-10-12-22)13-18-26(27)24-14-16-25(17-15-24)28(32)31(5-2)6-3/h8-18,21H,4-7,19-20H2,1-3H3,(H,30,33)
PubChem CID44567851
ChEMBLCHEMBL480506
IUPHARN/A
BindingDB50251569
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
Ki299.8 nMPMID18599297BindingDB,ChEMBL

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