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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

NameCHEMBL316273
Molecular formulaC32H33F3N4O4S
IUPAC nameN-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcyclopentanecarboxamide
Molecular weight626.695
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50039924
N-(Cyclopentylcarbonyl)-4'-[[[1-[2-(trifluoromethyl)phenyl]-3-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol]-4-yl]methyl]-1,1'-biphenyl-2-sulfonamide
4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid cyclopentanecarbonyl-amide
SCHEMBL9565982
Inchi KeyBPMHTBBVCZRJAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33F3N4O4S/c1-2-3-16-29-36-39(27-14-8-7-13-26(27)32(33,34)35)31(41)38(29)21-22-17-19-23(20-18-22)25-12-6-9-15-28(25)44(42,43)37-30(40)24-10-4-5-11-24/h6-9,12-15,17-20,24H,2-5,10-11,16,21H2,1H3,(H,37,40)
PubChem CID10054708
ChEMBLCHEMBL316273
IUPHARN/A
BindingDB50039924
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
IC500.32 nMPMID8064808BindingDB
IC500.32 nMPMID8064808ChEMBL

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