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Name | CHEMBL2369813 |
---|---|
Molecular formula | C50H72N10O9 |
IUPAC name | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-(3-naphthalen-1-ylpropanoylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 957.187 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 3.5 |
Synonyms | BDBM50405773 |
Inchi Key | XQSDQLUCWZNJJP-LVRNBHEBSA-N |
Inchi ID | InChI=1S/C50H72N10O9/c1-6-53-48(68)42-17-11-25-60(42)49(69)37(16-10-24-54-50(51)52)56-44(64)38(26-30(2)3)57-45(65)39(27-31(4)5)58-46(66)40(28-32-18-21-35(62)22-19-32)59-47(67)41(29-61)55-43(63)23-20-34-14-9-13-33-12-7-8-15-36(33)34/h7-9,12-15,18-19,21-22,30-31,37-42,61-62H,6,10-11,16-17,20,23-29H2,1-5H3,(H,53,68)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H4,51,52,54)/t37-,38-,39+,40-,41-,42-/m0/s1 |
PubChem CID | 14557600 |
ChEMBL | CHEMBL2369813 |
IUPHAR | N/A |
BindingDB | 50405773 |
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 |
---|---|---|---|---|---|
398616 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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