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Name | CHEMBL3923450 |
---|---|
Molecular formula | C37H57N9O4 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-6-(methylamino)-1-oxohexan-2-yl]-4-methylpentanamide |
Molecular weight | 691.922 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 7 |
XlogP | 2.4 |
Synonyms | N/A |
Inchi Key | BWOLOWBBCGTZIF-YDPTYEFTSA-N |
Inchi ID | InChI=1S/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/m0/s1 |
PubChem CID | 134139390 |
ChEMBL | CHEMBL3923450 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
548296 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
548297 | Kappa-type opioid receptor | P33534 | Oprk1 | Mus musculus (Mouse) | 380 |
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