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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

NameCHEMBL520421
Molecular formulaC26H36N2O5S2
IUPAC namebutyl N-[3-[4-(cyclohexylcarbamoyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight520.703
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.7
SynonymsBDBM50251513
butyl 3-(4-(cyclohexylcarbamoyl)phenyl)-5-isobutylthiophen-2-ylsulfonylcarbamate
Inchi KeyMJWCTZOPPOKAEA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N2O5S2/c1-4-5-15-33-26(30)28-35(31,32)25-23(17-22(34-25)16-18(2)3)19-11-13-20(14-12-19)24(29)27-21-9-7-6-8-10-21/h11-14,17-18,21H,4-10,15-16H2,1-3H3,(H,27,29)(H,28,30)
PubChem CID44567780
ChEMBLCHEMBL520421
IUPHARN/A
BindingDB50251513
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
Ki6.4 nMPMID18599297BindingDB,ChEMBL

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