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Name | CHEMBL3351021 |
---|---|
Molecular formula | C32H38N4O6 |
IUPAC name | (E)-4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1R,2R)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid |
Molecular weight | 574.678 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 4.5 |
Synonyms | (E)-4-[(R)-2-[(R)-2-[[(1R,2R)-2-Methylcyclohexyl]oxycarbonylamino]-3-(1H-indol-3-yl)-2-methylpropanoylamino]-1-phenylethylamino]-4-oxo-2-butenoic acid |
Inchi Key | DNLNHTHACYWSIA-AZYZEVHBSA-N |
Inchi ID | InChI=1S/C32H38N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,16-17,19,21,26-27,33H,6,9-10,15,18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/b17-16+/t21-,26+,27-,32-/m1/s1 |
PubChem CID | 10370877 |
ChEMBL | CHEMBL3351021 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
444229 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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