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Name | CHEMBL132775 |
---|---|
Molecular formula | C33H46N8O8 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanediamide |
Molecular weight | 682.779 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 9 |
XlogP | -0.9 |
Synonyms | BDBM50281545 (S)-2-{(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-pentanedioic acid diamide |
Inchi Key | ASYFQNODJNKUJZ-CQJMVLFOSA-N |
Inchi ID | InChI=1S/C33H46N8O8/c1-19(2)14-25(32(48)40-24(30(36)46)12-13-27(35)43)41-33(49)26(16-20-6-4-3-5-7-20)39-29(45)18-37-28(44)17-38-31(47)23(34)15-21-8-10-22(42)11-9-21/h3-11,19,23-26,42H,12-18,34H2,1-2H3,(H2,35,43)(H2,36,46)(H,37,44)(H,38,47)(H,39,45)(H,40,48)(H,41,49)/t23-,24-,25-,26-/m0/s1 |
PubChem CID | 44354004 |
ChEMBL | CHEMBL132775 |
IUPHAR | N/A |
BindingDB | 50281545 |
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 |
---|---|---|---|---|---|
13720 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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