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Name | SCHEMBL10316452 |
---|---|
Molecular formula | C42H55ClN8O5 |
IUPAC name | (2R)-N-[(2R)-6-amino-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide |
Molecular weight | 787.403 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 4.4 |
Synonyms | BDBM235789 US9359399, 28 |
Inchi Key | CQPMXBWFFGTFMI-FVGVZPQGSA-N |
Inchi ID | InChI=1S/C42H55ClN8O5/c1-27(2)23-35(48-40(54)36(25-29-13-7-4-8-14-29)47-38(52)32(45)24-28-11-5-3-6-12-28)39(53)46-33(15-9-10-20-44)41(55)50-21-18-31(19-22-50)51-37-17-16-30(43)26-34(37)49-42(51)56/h3-8,11-14,16-17,26-27,31-33,35-36H,9-10,15,18-25,44-45H2,1-2H3,(H,46,53)(H,47,52)(H,48,54)(H,49,56)/t32-,33-,35-,36-/m1/s1 |
PubChem CID | 53379523 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 235789 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
558757 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
558758 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
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