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Name | CHEMBL2369791 |
---|---|
Molecular formula | C46H67N11O9 |
IUPAC name | N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-1H-indole-3-carboxamide |
Molecular weight | 918.11 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | 2.1 |
Synonyms | BDBM50405765 |
Inchi Key | USFGGIRCAFZEHP-ZUQDGUHMSA-N |
Inchi ID | InChI=1S/C46H67N11O9/c1-6-49-44(65)38-14-10-20-57(38)45(66)33(13-9-19-50-46(47)48)52-40(61)34(21-26(2)3)53-41(62)35(22-27(4)5)54-42(63)36(23-28-15-17-29(59)18-16-28)55-43(64)37(25-58)56-39(60)31-24-51-32-12-8-7-11-30(31)32/h7-8,11-12,15-18,24,26-27,33-38,51,58-59H,6,9-10,13-14,19-23,25H2,1-5H3,(H,49,65)(H,52,61)(H,53,62)(H,54,63)(H,55,64)(H,56,60)(H4,47,48,50)/t33-,34-,35+,36-,37-,38-/m0/s1 |
PubChem CID | 14557592 |
ChEMBL | CHEMBL2369791 |
IUPHAR | N/A |
BindingDB | 50405765 |
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 |
---|---|---|---|---|---|
344260 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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