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Name | CHEMBL565228 |
---|---|
Molecular formula | C30H26ClN3O2S |
IUPAC name | 3-[5-[[3-[(E)-2-(5-chloro-1,3-benzothiazol-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]propanoic acid |
Molecular weight | 528.067 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50296108 3-(5-(3-(2-(5-chlorobenzo[d]thiazol-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)propanoic acid |
Inchi Key | CVTBVIGFYAHVTH-DHZHZOJOSA-N |
Inchi ID | InChI=1S/C30H26ClN3O2S/c31-22-9-10-28-25(17-22)32-29(37-28)11-8-20-4-3-5-21(16-20)18-34-26-7-2-1-6-23(26)24-19-33(14-12-27(24)34)15-13-30(35)36/h1-11,16-17H,12-15,18-19H2,(H,35,36)/b11-8+ |
PubChem CID | 45270816 |
ChEMBL | CHEMBL565228 |
IUPHAR | N/A |
BindingDB | 50296108 |
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 |
---|---|---|---|---|---|
51767 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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