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Name | CHEMBL414382 |
---|---|
Molecular formula | C57H78N10O9 |
IUPAC name | 1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-(3-naphthalen-1-ylpropanoylamino)-3-phenylmethoxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1047.31 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 9 |
XlogP | 5.5 |
Synonyms | BDBM50227965 |
Inchi Key | FWZNBFRUQRZVOL-UJTYELPRSA-N |
Inchi ID | InChI=1S/C57H78N10O9/c1-6-60-55(74)49-22-14-30-67(49)56(75)44(21-13-29-61-57(58)59)63-51(70)45(31-36(2)3)64-52(71)46(32-37(4)5)65-53(72)47(33-38-23-26-42(68)27-24-38)66-54(73)48(35-76-34-39-15-8-7-9-16-39)62-50(69)28-25-41-19-12-18-40-17-10-11-20-43(40)41/h7-12,15-20,23-24,26-27,36-37,44-49,68H,6,13-14,21-22,25,28-35H2,1-5H3,(H,60,74)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H,66,73)(H4,58,59,61)/t44-,45-,46+,47-,48-,49?/m0/s1 |
PubChem CID | 44314857 |
ChEMBL | CHEMBL414382 |
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. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
89345 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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