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Name | CHEMBL412573 |
---|---|
Molecular formula | C54H69N11O10 |
IUPAC name | 1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1032.21 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 11 |
XlogP | 3.7 |
Synonyms | BDBM50405763 |
Inchi Key | GXGJRCZJKRJBEX-JMYQLIFYSA-N |
Inchi ID | InChI=1S/C54H69N11O10/c1-4-57-52(73)45-18-11-25-65(45)53(74)40(17-10-24-58-54(55)56)61-48(69)41(26-32(2)3)62-50(71)43(28-35-29-59-39-16-8-7-14-37(35)39)64-49(70)42(27-33-20-22-36(67)23-21-33)63-51(72)44(30-66)60-47(68)31-75-46-19-9-13-34-12-5-6-15-38(34)46/h5-9,12-16,19-23,29,32,40-45,59,66-67H,4,10-11,17-18,24-28,30-31H2,1-3H3,(H,57,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,55,56,58)/t40-,41-,42-,43+,44-,45?/m0/s1 |
PubChem CID | 44314939 |
ChEMBL | CHEMBL412573 |
IUPHAR | N/A |
BindingDB | 50405763 |
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 |
---|---|---|---|---|---|
107607 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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