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Name | CHEMBL3361404 |
---|---|
Molecular formula | C41H56N6O10S |
IUPAC name | (3S)-4-[[(2S)-1-[[(2S)-1-[[(E,4R)-4-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-6-methylhept-2-enyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3-carboxypropanoylamino)-4-oxobutanoic acid |
Molecular weight | 824.991 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 7 |
XlogP | 2.1 |
Synonyms | BDBM50028021 |
Inchi Key | MMGMPBHKVDMGED-SEBHWXEDSA-N |
Inchi ID | InChI=1S/C41H56N6O10S/c1-26(2)22-29(38(54)45-30(37(42)53)19-21-58-4)16-11-20-43-40(56)33(24-28-14-9-6-10-15-28)47(3)41(57)32(23-27-12-7-5-8-13-27)46-39(55)31(25-36(51)52)44-34(48)17-18-35(49)50/h5-16,26,29-33H,17-25H2,1-4H3,(H2,42,53)(H,43,56)(H,44,48)(H,45,54)(H,46,55)(H,49,50)(H,51,52)/b16-11+/t29-,30-,31-,32-,33-/m0/s1 |
PubChem CID | 118724964 |
ChEMBL | CHEMBL3361404 |
IUPHAR | N/A |
BindingDB | 50028021 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
449886 | Neuromedin-K receptor | P29371 | TACR3 | Homo sapiens (Human) | 465 |
449887 | Neuromedin-K receptor | P16177 | Tacr3 | Rattus norvegicus (Rat) | 452 |
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