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Name | CHEMBL3272560 |
---|---|
Molecular formula | C49H68N14O12 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1045.17 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 14 |
XlogP | -2.3 |
Synonyms | N/A |
Inchi Key | UJNYKVSJBSKOTO-CXWHUAPYSA-N |
Inchi ID | InChI=1S/C49H68N14O12/c1-26(2)19-34(44(71)59-33(9-5-17-53-49(51)52)48(75)63-18-6-10-38(63)47(74)55-23-39(50)66)58-41(68)24-56-42(69)35(20-27-11-13-29(65)14-12-27)60-46(73)37(25-64)62-45(72)36(61-43(70)32-15-16-40(67)57-32)21-28-22-54-31-8-4-3-7-30(28)31/h3-4,7-8,11-14,22,26,32-38,54,64-65H,5-6,9-10,15-21,23-25H2,1-2H3,(H2,50,66)(H,55,74)(H,56,69)(H,57,67)(H,58,68)(H,59,71)(H,60,73)(H,61,70)(H,62,72)(H4,51,52,53)/t32-,33-,34-,35-,36-,37-,38-/m0/s1 |
PubChem CID | 90677609 |
ChEMBL | CHEMBL3272560 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
338326 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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