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Name | 171807-62-8 |
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Molecular formula | C32H39N5O5 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanamide |
Molecular weight | 573.694 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 6 |
XlogP | 2.1 |
Synonyms | CTK0E4618 L-Phenylalaninamide, 2,6-dimethyl-L-tyrosyl-D-alanyl-L-phenylalanyl- AKOS030610407 Dmt-d-Ala-Phe-Phe-NH2 SCHEMBL3300491 [ Show all ] |
Inchi Key | BIKPLGOOJKDROD-VKKANWSESA-N |
Inchi ID | InChI=1S/C32H39N5O5/c1-19-14-24(38)15-20(2)25(19)18-26(33)31(41)35-21(3)30(40)37-28(17-23-12-8-5-9-13-23)32(42)36-27(29(34)39)16-22-10-6-4-7-11-22/h4-15,21,26-28,38H,16-18,33H2,1-3H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,40)/t21-,26+,27+,28+/m1/s1 |
PubChem CID | 57340586 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 86418 |
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 |
---|---|---|---|---|---|
24512 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417