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Name | CHEMBL3272559 |
---|---|
Molecular formula | C49H78N14O13 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1071.25 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 14 |
XlogP | -1.6 |
Synonyms | N/A |
Inchi Key | ZRQQPDDLLLARQY-WPOSIKJCSA-N |
Inchi ID | InChI=1S/C49H78N14O13/c1-24(2)20-32(43(71)57-31(10-8-18-53-49(51)52)48(76)63-19-9-11-35(63)45(73)54-22-36(50)66)58-40(68)27(7)55-42(70)33(21-28-12-14-29(65)15-13-28)59-44(72)34(23-64)60-46(74)38(25(3)4)62-47(75)39(26(5)6)61-41(69)30-16-17-37(67)56-30/h12-15,24-27,30-35,38-39,64-65H,8-11,16-23H2,1-7H3,(H2,50,66)(H,54,73)(H,55,70)(H,56,67)(H,57,71)(H,58,68)(H,59,72)(H,60,74)(H,61,69)(H,62,75)(H4,51,52,53)/t27-,30+,31+,32+,33+,34+,35+,38+,39+/m1/s1 |
PubChem CID | 90677608 |
ChEMBL | CHEMBL3272559 |
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 |
---|---|---|---|---|---|
435840 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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