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Name | MLS000705798 |
---|---|
Molecular formula | C20H19NO4S |
IUPAC name | (Z)-but-2-enedioic acid;2-thia-12-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene |
Molecular weight | 369.435 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | None |
Synonyms | BDBM96656 cid_13167703 2,3,12,12a-tetrahydro-1H-[1]benzothiepino[4,3,2-de]isoquinoline SMR000224835 HMS2542P22 [ Show all ] |
Inchi Key | AQQSBMUTIZCLBU-BTJKTKAUSA-N |
Inchi ID | InChI=1S/C16H15NS.C4H4O4/c1-2-6-14-11(4-1)8-13-10-17-9-12-5-3-7-15(18-14)16(12)13;5-3(6)1-2-4(7)8/h1-7,13,17H,8-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1- |
PubChem CID | 13167703 |
ChEMBL | CHEMBL1455142 |
IUPHAR | N/A |
BindingDB | 96656 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
12033 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
12032 | Trace amine-associated receptor 1 | Q96RJ0 | TAAR1 | Homo sapiens (Human) | 339 |
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