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Name | CHEMBL2369798 |
---|---|
Molecular formula | C54H69N11O9 |
IUPAC name | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)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 | 1016.21 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | 3.6 |
Synonyms | BDBM50405762 |
Inchi Key | HFTQNEIPSALKOM-NXINJGQHSA-N |
Inchi ID | InChI=1S/C54H69N11O9/c1-4-57-52(73)46-16-10-24-65(46)53(74)41(15-9-23-58-54(55)56)61-48(69)42(25-32(2)3)62-50(71)44(29-37-30-59-40-14-8-7-13-39(37)40)64-49(70)43(27-33-18-21-38(67)22-19-33)63-51(72)45(31-66)60-47(68)28-34-17-20-35-11-5-6-12-36(35)26-34/h5-8,11-14,17-22,26,30,32,41-46,59,66-67H,4,9-10,15-16,23-25,27-29,31H2,1-3H3,(H,57,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,55,56,58)/t41-,42-,43-,44+,45-,46-/m0/s1 |
PubChem CID | 14557618 |
ChEMBL | CHEMBL2369798 |
IUPHAR | N/A |
BindingDB | 50405762 |
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 |
---|---|---|---|---|---|
113748 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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