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Name | BDBM50437879 |
---|---|
Molecular formula | C29H26N2O3 |
IUPAC name | 4-[4-[(1R)-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]phenyl]benzoic acid |
Molecular weight | 450.538 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | N/A |
Inchi Key | GEMWXWUPINNETM-QXPUDEPPSA-N |
Inchi ID | InChI=1S/C29H26N2O3/c1-19-5-3-4-6-26(19)27(18-28(31-34)25-15-16-30-20(2)17-25)23-11-7-21(8-12-23)22-9-13-24(14-10-22)29(32)33/h3-17,27-28H,18H2,1-2H3,(H,32,33)/t27-,28?/m1/s1 |
PubChem CID | 91898726 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50437879 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
94502 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
94503 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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