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Name | CHEMBL2158271 |
---|---|
Molecular formula | C19H15N3O8S |
IUPAC name | [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4,5-dimethoxy-2-nitrobenzoate |
Molecular weight | 445.402 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 2.1 |
Synonyms | MLS-0437375.0001 BDBM50393901 SR-01000020525-1 F2510-0364 877637-84-8 [ Show all ] |
Inchi Key | BJZYCHKZQGDNSB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H15N3O8S/c1-27-15-7-12(13(22(25)26)8-16(15)28-2)18(24)30-17-9-29-11(6-14(17)23)10-31-19-20-4-3-5-21-19/h3-9H,10H2,1-2H3 |
PubChem CID | 18572395 |
ChEMBL | CHEMBL2158271 |
IUPHAR | N/A |
BindingDB | 50393901 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
25598 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
25597 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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