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Name | CHEMBL438833 |
---|---|
Molecular formula | C29H39N5O5 |
IUPAC name | (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 537.661 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 1.0 |
Synonyms | BDBM50209316 (S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxohexan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide |
Inchi Key | AZGOQVZXEGKFSN-QORCZRPOSA-N |
Inchi ID | InChI=1S/C29H39N5O5/c1-2-3-10-23(27(37)33-24(26(31)36)18-19-8-5-4-6-9-19)32-28(38)25-11-7-16-34(25)29(39)22(30)17-20-12-14-21(35)15-13-20/h4-6,8-9,12-15,22-25,35H,2-3,7,10-11,16-18,30H2,1H3,(H2,31,36)(H,32,38)(H,33,37)/t22-,23-,24-,25-/m0/s1 |
PubChem CID | 44428868 |
ChEMBL | CHEMBL438833 |
IUPHAR | N/A |
BindingDB | 50209316 |
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 |
---|---|---|---|---|---|
18119 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
18120 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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