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Name | Type-2 angiotensin II receptor |
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Species | Homo sapiens (Human) |
Gene | AGTR2 |
Synonym | AT2 MRX88 Agtr2 angiotensin II receptor angiotensin II receptor, type 2 [ Show all ] |
Disease | Postherpetic neuralgia Hypertension |
Length | 363 |
Amino acid sequence | MKGNSTLATTSKNITSGLHFGLVNISGNNESTLNCSQKPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRESMSCRKSSSLREMETFVS |
UniProt | P50052 |
Protein Data Bank | 5xjm, 5unh, 5ung, 5unf |
GPCR-HGmod model | P50052 |
3D structure model | This structure is from PDB ID 5xjm. |
BioLiP | BL0419199, BL0375199,BL0375200, BL0375198, BL0375196,BL0375197 |
Therapeutic Target Database | T09909 |
ChEMBL | CHEMBL4607 |
IUPHAR | 35 |
DrugBank | BE0003426 |
Name | CHEMBL311160 |
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Molecular formula | C36H35F2N5O5S |
IUPAC name | 4-ethyl-N-[2-[4-[[2-ethyl-4-oxo-6-(propan-2-ylcarbamoylamino)quinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide |
Molecular weight | 687.763 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.7 |
Synonyms | 4''-[2-Ethyl-6-(3-isopropyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3''-fluoro-biphenyl-2-sulfonic acid 4-ethyl-2-fluoro-benzoylamide BDBM50283312 |
Inchi Key | FRKWBPZUTQTJCZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H35F2N5O5S/c1-5-22-11-15-27(30(38)17-22)34(44)42-49(47,48)32-10-8-7-9-26(32)23-12-13-24(29(37)18-23)20-43-33(6-2)41-31-16-14-25(19-28(31)35(43)45)40-36(46)39-21(3)4/h7-19,21H,5-6,20H2,1-4H3,(H,42,44)(H2,39,40,46) |
PubChem CID | 44315351 |
ChEMBL | CHEMBL311160 |
IUPHAR | N/A |
BindingDB | 50283312 |
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 | 3.1 nM | , Bioorg. Med. Chem. Lett., (1994) 4:19:2337 | BindingDB,ChEMBL |
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