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Name | CHEMBL408640 |
---|---|
Molecular formula | C82H97F3N12O13 |
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-[[4-(trifluoromethyl)phenyl]methylamino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1515.74 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 13 |
XlogP | 8.7 |
Synonyms | N/A |
Inchi Key | VLQRIDDYINXVLY-KEWLAEHKSA-N |
Inchi ID | InChI=1S/C82H97F3N12O13/c1-50(2)41-69(81(110)97-40-18-28-71(97)80(109)88-51(3)72(86)101)95-77(106)66(44-54-21-10-6-11-22-54)91-73(102)63(27-16-17-39-87-48-57-30-35-61(36-31-57)82(83,84)85)90-75(104)68(46-56-32-37-62(100)38-33-56)94-79(108)70(49-98)96-78(107)67(45-55-23-12-7-13-24-55)93-76(105)65(43-53-19-8-5-9-20-53)92-74(103)64(89-52(4)99)47-58-29-34-59-25-14-15-26-60(59)42-58/h5-15,19-26,29-38,42,50-51,63-71,87,98,100H,16-18,27-28,39-41,43-49H2,1-4H3,(H2,86,101)(H,88,109)(H,89,99)(H,90,104)(H,91,102)(H,92,103)(H,93,105)(H,94,108)(H,95,106)(H,96,107)/t51-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1 |
PubChem CID | 44377049 |
ChEMBL | CHEMBL408640 |
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 |
---|---|---|---|---|---|
358110 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218