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Name | CHEMBL2369806 |
---|---|
Molecular formula | C51H69N11O9 |
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-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 980.181 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | 2.6 |
Synonyms | BDBM50405775 |
Inchi Key | AMGVBWSQFZWHLF-WKSNNGRJSA-N |
Inchi ID | InChI=1S/C51H69N11O9/c1-4-54-49(70)43-17-11-25-62(43)50(71)38(16-10-24-55-51(52)53)58-45(66)39(26-31(2)3)59-46(67)40(27-32-12-6-5-7-13-32)60-47(68)41(28-33-18-21-35(64)22-19-33)61-48(69)42(30-63)57-44(65)23-20-34-29-56-37-15-9-8-14-36(34)37/h5-9,12-15,18-19,21-22,29,31,38-43,56,63-64H,4,10-11,16-17,20,23-28,30H2,1-3H3,(H,54,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H4,52,53,55)/t38-,39-,40+,41-,42-,43-/m0/s1 |
PubChem CID | 14557588 |
ChEMBL | CHEMBL2369806 |
IUPHAR | N/A |
BindingDB | 50405775 |
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 |
---|---|---|---|---|---|
8869 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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