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Name | CHEMBL2369788 |
---|---|
Molecular formula | C53H70N12O9 |
IUPAC name | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[3-(1H-indol-3-yl)propanoylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1019.22 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 12 |
XlogP | 2.7 |
Synonyms | BDBM50227959 |
Inchi Key | OLNJHAIPLFPWSY-CPPKSIGKSA-N |
Inchi ID | InChI=1S/C53H70N12O9/c1-4-56-51(73)45-16-10-24-65(45)52(74)40(15-9-23-57-53(54)55)61-47(69)41(25-31(2)3)62-49(71)43(27-34-29-59-39-14-8-6-12-37(34)39)64-48(70)42(26-32-17-20-35(67)21-18-32)63-50(72)44(30-66)60-46(68)22-19-33-28-58-38-13-7-5-11-36(33)38/h5-8,11-14,17-18,20-21,28-29,31,40-45,58-59,66-67H,4,9-10,15-16,19,22-27,30H2,1-3H3,(H,56,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,54,55,57)/t40-,41-,42-,43+,44-,45-/m0/s1 |
PubChem CID | 14557584 |
ChEMBL | CHEMBL2369788 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
244464 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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