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Name | ICI 174,864 |
---|---|
Molecular formula | C38H53N5O7 |
IUPAC name | (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 691.87 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 6 |
XlogP | 2.8 |
Synonyms | AKOS024458657 L-Leucine, N-(N-(N-(N-(N,N-di-2-propenyl-L-tyrosyl)-2-methylalanyl)-2-methylalanyl)-L-phenylalanyl)- ZINC3935022 CHEMBL47545 N,N-Bisallyl-L-Tyr-2-methyl-L-Ala-2-methyl-L-Ala-L-Phe-L-Leu-OH [ Show all ] |
Inchi Key | XUWLAGNFLUARAN-CHQNGUEUSA-N |
Inchi ID | InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1 |
PubChem CID | 44149909 |
ChEMBL | CHEMBL47545 |
IUPHAR | N/A |
BindingDB | 50006946 |
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 |
---|---|---|---|---|---|
401512 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
401513 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
401519 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
401511 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
401517 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
401514 | Mu-type opioid receptor | P79350 | OPRM1 | Bos taurus (Bovine) | 401 |
401515 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
401516 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
401518 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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