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Name | CHEMBL262162 |
---|---|
Molecular formula | C80H102N12O13 |
IUPAC name | (2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-(cyclohexylamino)hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1439.77 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 13 |
XlogP | 8.1 |
Synonyms | N/A |
Inchi Key | QUUXCLHNUNLTAN-XETXEXDHSA-N |
Inchi ID | InChI=1S/C80H102N12O13/c1-50(2)42-68(80(105)92-41-21-33-70(92)79(104)83-51(3)71(81)96)90-76(101)65(45-54-24-11-6-12-25-54)86-72(97)62(32-19-20-40-82-60-30-15-8-16-31-60)85-74(99)67(47-56-35-38-61(95)39-36-56)89-78(103)69(49-93)91-77(102)66(46-55-26-13-7-14-27-55)88-75(100)64(44-53-22-9-5-10-23-53)87-73(98)63(84-52(4)94)48-57-34-37-58-28-17-18-29-59(58)43-57/h5-7,9-14,17-18,22-29,34-39,43,50-51,60,62-70,82,93,95H,8,15-16,19-21,30-33,40-42,44-49H2,1-4H3,(H2,81,96)(H,83,104)(H,84,94)(H,85,99)(H,86,97)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,102)/t51-,62-,63-,64-,65-,66-,67-,68-,69-,70+/m0/s1 |
PubChem CID | 44377045 |
ChEMBL | CHEMBL262162 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
287357 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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