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Name | CHEMBL239659 |
---|---|
Molecular formula | C35H43O5S2- |
IUPAC name | 2-(4-butoxyphenyl)sulfanyl-5-[2-(1-hydroxytridec-2-ynyl)phenyl]benzenesulfonate |
Molecular weight | 607.844 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 10.2 |
Synonyms | BDBM50208887 sodium 4-[(4-butoxyphenyl)thio]-20-(1-hydroxytridec-2-yn-1-yl)biphenyl-3-sulfonate |
Inchi Key | GQBHTDSBHZGOKN-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C35H44O5S2/c1-3-5-7-8-9-10-11-12-13-14-19-33(36)32-18-16-15-17-31(32)28-20-25-34(35(27-28)42(37,38)39)41-30-23-21-29(22-24-30)40-26-6-4-2/h15-18,20-25,27,33,36H,3-13,26H2,1-2H3,(H,37,38,39)/p-1 |
PubChem CID | 91971071 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50208887 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
102473 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
102474 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
102475 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
102472 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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