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Name | CHEMBL3272557 |
---|---|
Molecular formula | C50H80N14O13 |
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]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1085.28 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 14 |
XlogP | -1.2 |
Synonyms | N/A |
Inchi Key | GVYOHYWJLQXRSN-UJVDHRFUSA-N |
Inchi ID | InChI=1S/C50H80N14O13/c1-25(2)20-33(44(72)58-32(10-8-18-54-50(52)53)49(77)64-19-9-11-37(64)47(75)55-23-38(51)67)59-41(69)28(7)56-43(71)35(22-29-12-14-30(66)15-13-29)60-46(74)36(24-65)62-45(73)34(21-26(3)4)61-48(76)40(27(5)6)63-42(70)31-16-17-39(68)57-31/h12-15,25-28,31-37,40,65-66H,8-11,16-24H2,1-7H3,(H2,51,67)(H,55,75)(H,56,71)(H,57,68)(H,58,72)(H,59,69)(H,60,74)(H,61,76)(H,62,73)(H,63,70)(H4,52,53,54)/t28-,31+,32+,33+,34+,35+,36+,37+,40+/m1/s1 |
PubChem CID | 90677606 |
ChEMBL | CHEMBL3272557 |
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 |
---|---|---|---|---|---|
106677 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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