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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 | CHEMBL155877 |
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Molecular formula | C28H27ClN8OS |
IUPAC name | N-[4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzamide |
Molecular weight | 559.089 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.8 |
Synonyms | N-{4-[3-Butyl-5-(4-chloro-benzylsulfanyl)-[1,2,4]triazol-4-ylmethyl]-phenyl}-2-(1H-tetrazol-5-yl)-benzamide SCHEMBL9402255 BDBM50047879 L004736 |
Inchi Key | AFNFXTCZKDGUEX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27ClN8OS/c1-2-3-8-25-31-34-28(39-18-20-9-13-21(29)14-10-20)37(25)17-19-11-15-22(16-12-19)30-27(38)24-7-5-4-6-23(24)26-32-35-36-33-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,30,38)(H,32,33,35,36) |
PubChem CID | 10053499 |
ChEMBL | CHEMBL155877 |
IUPHAR | N/A |
BindingDB | 50047879 |
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 | 6.8 nM | PMID8496939, Med Chem Res, (2012) 21:9:2307 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417