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Name | CHEMBL407123 |
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Molecular formula | C67H84N16O14 |
IUPAC name | 2-[[(2R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid |
Molecular weight | 1337.51 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 15 |
XlogP | 1.7 |
Synonyms | N/A |
Inchi Key | PLQSHIMBNZAMSU-AIIVEDNBSA-N |
Inchi ID | InChI=1S/C67H84N16O14/c1-37(2)26-49(59(90)76-48(14-8-24-71-67(68)69)66(97)83-25-9-15-54(83)63(94)73-34-57(87)88)77-61(92)51(29-39-16-19-40-10-4-5-11-41(40)27-39)78-60(91)50(28-38-17-20-44(85)21-18-38)80-64(95)55(35-84)82(3)65(96)53(30-42-32-72-46-13-7-6-12-45(42)46)81-62(93)52(31-43-33-70-36-74-43)79-58(89)47-22-23-56(86)75-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,72,84-85H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H,70,74)(H,73,94)(H,75,86)(H,76,90)(H,77,92)(H,78,91)(H,79,89)(H,80,95)(H,81,93)(H,87,88)(H4,68,69,71)/t47-,48-,49-,50-,51+,52-,53-,54+,55-/m0/s1 |
PubChem CID | 44350494 |
ChEMBL | CHEMBL407123 |
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 |
---|---|---|---|---|---|
262830 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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