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Name | CHEMBL501023 |
---|---|
Molecular formula | C32H34N4O5 |
IUPAC name | benzyl 2-[(4S)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]acetate |
Molecular weight | 554.647 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.7 |
Synonyms | benzyl 2-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-3-oxo-4,5-dihydroazepino[3,4-b]indol-2(1H,3H,10H)-yl)acetate BDBM50266059 |
Inchi Key | BGOKTINXYLZNSY-XCZPVHLTSA-N |
Inchi ID | InChI=1S/C32H34N4O5/c1-19-12-22(37)13-20(2)24(19)14-26(33)31(39)35-28-15-25-23-10-6-7-11-27(23)34-29(25)16-36(32(28)40)17-30(38)41-18-21-8-4-3-5-9-21/h3-13,26,28,34,37H,14-18,33H2,1-2H3,(H,35,39)/t26-,28-/m0/s1 |
PubChem CID | 44581436 |
ChEMBL | CHEMBL501023 |
IUPHAR | N/A |
BindingDB | 50266059 |
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 |
---|---|---|---|---|---|
23221 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
23222 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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