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GPCR

NameType-1A angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1
SynonymAngiotensin II type-1A receptor
AT1A
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProtP25095
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL329
IUPHAR34
DrugBankN/A

Ligand

NameCHEMBL394734
Molecular formulaC33H36N2O5S2
IUPAC namebutyl N-[5-(2-methylpropyl)-3-[4-[2-oxo-2-(N-phenylanilino)ethyl]phenyl]thiophen-2-yl]sulfonylcarbamate
Molecular weight604.78
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP8.1
SynonymsBDBM50221318
N-butyloxycarbonyl-3-{4-[N-(diphenylmethyl)-carbamoylmethyl]phenyl}-5-iso-butylthiophene-2-sulfonamide
Inchi KeyGPUWAWIUHNQGDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H36N2O5S2/c1-4-5-20-40-33(37)34-42(38,39)32-30(23-29(41-32)21-24(2)3)26-18-16-25(17-19-26)22-31(36)35(27-12-8-6-9-13-27)28-14-10-7-11-15-28/h6-19,23-24H,4-5,20-22H2,1-3H3,(H,34,37)
PubChem CID44437992
ChEMBLCHEMBL394734
IUPHARN/A
BindingDB50221318
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
Ki<10000.0 nMPMID17825570BindingDB,ChEMBL

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