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Name | CHEMBL2369789 |
---|---|
Molecular formula | C49H70N10O9 |
IUPAC name | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 943.16 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | 3.2 |
Synonyms | BDBM50227966 |
Inchi Key | GTVKNNRISAMRMP-BDPXDZDXSA-N |
Inchi ID | InChI=1S/C49H70N10O9/c1-6-52-47(67)41-17-11-23-59(41)48(68)36(16-10-22-53-49(50)51)55-43(63)37(24-29(2)3)56-44(64)38(25-30(4)5)57-45(65)39(26-31-18-20-34(61)21-19-31)58-46(66)40(28-60)54-42(62)27-33-14-9-13-32-12-7-8-15-35(32)33/h7-9,12-15,18-21,29-30,36-41,60-61H,6,10-11,16-17,22-28H2,1-5H3,(H,52,67)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H4,50,51,53)/t36-,37-,38+,39-,40-,41-/m0/s1 |
PubChem CID | 14557608 |
ChEMBL | CHEMBL2369789 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
105186 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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