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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

NameCHEMBL486847
Molecular formulaC32H29N3O3
IUPAC name2-[4-[(5-benzamido-2-butylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
Molecular weight503.602
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM50412354
Inchi KeyNIXJFHKXSBEZJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H29N3O3/c1-2-3-13-30-34-28-20-25(33-31(36)24-9-5-4-6-10-24)18-19-29(28)35(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)32(37)38/h4-12,14-20H,2-3,13,21H2,1H3,(H,33,36)(H,37,38)
PubChem CID25112615
ChEMBLCHEMBL486847
IUPHARN/A
BindingDB50412354
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
Kd251.19 nMPMID18158200BindingDB,ChEMBL
pA106.0 -PMID18158200ChEMBL

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