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Name | CHEMBL148588 |
---|---|
Molecular formula | C28H39N9O6 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(3-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid |
Molecular weight | 597.677 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 9 |
XlogP | -0.3 |
Synonyms | BDBM50120875 2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phenyl)-propionylamino]-pentanoylamino}-3-phenyl-propionylamino)-propionic acid |
Inchi Key | DVUKUEIZDQXDFH-KPQYALRZSA-N |
Inchi ID | InChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1 |
PubChem CID | 44365001 |
ChEMBL | CHEMBL148588 |
IUPHAR | N/A |
BindingDB | 50120875 |
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 |
---|---|---|---|---|---|
70277 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
70279 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
70278 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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