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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 | CHEMBL290768 |
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Molecular formula | C37H31N7O2S |
IUPAC name | N-benzyl-N-[4-oxo-2-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]thiophene-2-carboxamide |
Molecular weight | 637.762 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 6.8 |
Synonyms | BDBM50282702 Thiophene-2-carboxylic acid benzyl-{2-isopropyl-4-oxo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-quinazolin-6-yl}-amide |
Inchi Key | BJEGHUOJTHEZOS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C37H31N7O2S/c1-24(2)35-38-32-19-18-28(43(22-25-9-4-3-5-10-25)37(46)33-13-8-20-47-33)21-31(32)36(45)44(35)23-26-14-16-27(17-15-26)29-11-6-7-12-30(29)34-39-41-42-40-34/h3-21,24H,22-23H2,1-2H3,(H,39,40,41,42) |
PubChem CID | 44283480 |
ChEMBL | CHEMBL290768 |
IUPHAR | N/A |
BindingDB | 50282702 |
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 | 42.0 nM | Bioorg. Med. Chem. Lett., (1994) 4:12:1479, | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417