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Name | CHEMBL488501 |
---|---|
Molecular formula | C26H32Cl2N2O5S |
IUPAC name | (2R,3S)-4-(2,3-dichlorophenyl)sulfonyl-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide |
Molecular weight | 555.511 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50244439 SCHEMBL5951000 (2R,3S)-4-(2,3-dichlorophenylsulfonyl)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide |
Inchi Key | NPGZSUFBJBAYBE-TZBSWOFLSA-N |
Inchi ID | InChI=1S/C26H32Cl2N2O5S/c27-20-7-5-9-23(24(20)28)36(34,35)16-22(31)25(32)26(33)29-21-8-4-6-18-14-17(10-11-19(18)21)15-30-12-2-1-3-13-30/h5,7,9-11,14,21-22,25,31-32H,1-4,6,8,12-13,15-16H2,(H,29,33)/t21-,22-,25-/m1/s1 |
PubChem CID | 11685446 |
ChEMBL | CHEMBL488501 |
IUPHAR | N/A |
BindingDB | 50244439 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
228919 | B1 bradykinin receptor | P46663 | BDKRB1 | Homo sapiens (Human) | 353 |
228920 | B1 bradykinin receptor | P48748 | BDKRB1 | Oryctolagus cuniculus (Rabbit) | 352 |
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