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Name | CHEMBL415571 |
---|---|
Molecular formula | C58H85N15O13 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2R)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1200.41 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 14 |
XlogP | 0.0 |
Synonyms | N/A |
Inchi Key | OVJUBSAGGRBLLG-DXXSMRTMSA-N |
Inchi ID | InChI=1S/C58H85N15O13/c1-7-62-56(84)47-11-9-23-73(47)57(85)40(10-8-22-63-58(59)60)66-50(78)41(24-32(2)3)67-51(79)42(25-33(4)5)68-52(80)43(26-34-12-16-37(75)17-13-34)70-55(83)46(30-74)72-53(81)44(27-35-14-18-38(86-6)19-15-35)69-54(82)45(28-36-29-61-31-64-36)71-49(77)39-20-21-48(76)65-39/h12-19,29,31-33,39-47,74-75H,7-11,20-28,30H2,1-6H3,(H,61,64)(H,62,84)(H,65,76)(H,66,78)(H,67,79)(H,68,80)(H,69,82)(H,70,83)(H,71,77)(H,72,81)(H4,59,60,63)/t39-,40-,41-,42+,43-,44-,45-,46-,47+/m0/s1 |
PubChem CID | 44350636 |
ChEMBL | CHEMBL415571 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
251235 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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