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Name | CHEMBL160092 |
---|---|
Molecular formula | C19H20N6O6S2 |
IUPAC name | 2-[[4-[2-[2-(1H-indol-3-yl)ethylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]acetic acid |
Molecular weight | 492.525 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 2.9 |
Synonyms | 2-[3-Nitro-4-[3-[2-(1H-indole-3-yl)ethyl]thioureidoamino]phenylsulfonylamino]acetic acid BDBM50097736 |
Inchi Key | IMEISWIFMFMJMB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H20N6O6S2/c26-18(27)11-22-33(30,31)13-5-6-16(17(9-13)25(28)29)23-24-19(32)20-8-7-12-10-21-15-4-2-1-3-14(12)15/h1-6,9-10,21-23H,7-8,11H2,(H,26,27)(H2,20,24,32) |
PubChem CID | 44375711 |
ChEMBL | CHEMBL160092 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
136556 | B2 bradykinin receptor | P25023 | Bdkrb2 | Rattus norvegicus (Rat) | 396 |
136555 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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