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Name | CHEMBL3272555 |
---|---|
Molecular formula | C50H80N14O13 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(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]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-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 | ARFDGKMVOWEKHH-QSVFAHTRSA-N |
Inchi ID | InChI=1S/C50H80N14O13/c1-26(2)19-33(44(72)59-32(9-7-17-54-50(52)53)49(77)64-18-8-10-38(64)48(76)55-23-39(51)67)58-41(69)24-56-42(70)36(22-29-11-13-30(66)14-12-29)62-47(75)37(25-65)63-46(74)35(21-28(5)6)61-45(73)34(20-27(3)4)60-43(71)31-15-16-40(68)57-31/h11-14,26-28,31-38,65-66H,7-10,15-25H2,1-6H3,(H2,51,67)(H,55,76)(H,56,70)(H,57,68)(H,58,69)(H,59,72)(H,60,71)(H,61,73)(H,62,75)(H,63,74)(H4,52,53,54)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 |
PubChem CID | 90677604 |
ChEMBL | CHEMBL3272555 |
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 |
---|---|---|---|---|---|
12406 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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