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Name | Type-1 angiotensin II receptor |
---|---|
Species | Oryctolagus cuniculus (Rabbit) |
Gene | AGTR1 |
Synonym | Angiotensin II type-1 receptor AT1 |
Disease | N/A for non-human GPCRs |
Length | 359 |
Amino acid sequence | MMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE |
UniProt | P34976 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3948 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL334300 |
---|---|
Molecular formula | C33H38ClN5O6S |
IUPAC name | tert-butyl N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate |
Molecular weight | 668.206 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.0 |
Synonyms | SCHEMBL9399946 BDBM50030713 N-[4-Chloro-3-[[3-butyl-4,5-dihydro-5-oxo-4-[[2'-[(tert-butoxycarbonyl)sulfamoyl]biphenyl-4-yl]methyl]-1H-1,2,4-triazol]-1-yl]phenyl]propanamide 5-n-Butyl-4-[[2''-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one N-{3-[3-Butyl-5-oxo-4-(2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-4,5-dihydro-[1,2,4]triazol-1-yl]-4-chloro-phenyl}-propionamide |
Inchi Key | BRBKSPFRJQPDPQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H38ClN5O6S/c1-6-8-13-29-36-39(27-20-24(18-19-26(27)34)35-30(40)7-2)32(42)38(29)21-22-14-16-23(17-15-22)25-11-9-10-12-28(25)46(43,44)37-31(41)45-33(3,4)5/h9-12,14-20H,6-8,13,21H2,1-5H3,(H,35,40)(H,37,41) |
PubChem CID | 10100951 |
ChEMBL | CHEMBL334300 |
IUPHAR | N/A |
BindingDB | 50030713 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.21 nM | , PMID7562905, PMID7799397 | BindingDB |
IC50 | 0.21 nM | Med Chem Res, (2012) 21:10:2837, Med Chem Res, (2013) None:None:1, PMID7562905, PMID7799397 | ChEMBL |
IC50 | 0.2104 nM | Med Chem Res, (2012) 21:10:2837 | ChEMBL |
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