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Name | nafarelin 5NMeTyr |
---|---|
Molecular formula | C67H85N17O13 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(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]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1336.52 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 15 |
XlogP | 1.0 |
Synonyms | BDBM84728 CHEMBL2370542 |
Inchi Key | AWGRFBORXHTGPL-XBXXFZRPSA-N |
Inchi ID | InChI=1S/C67H85N17O13/c1-37(2)26-49(59(90)77-48(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)78-60(91)50(28-39-16-19-40-10-4-5-11-41(40)27-39)81-64(95)55(29-38-17-20-44(86)21-18-38)83(3)65(96)53(35-85)82-61(92)51(30-42-32-73-46-13-7-6-12-45(42)46)79-62(93)52(31-43-33-71-36-75-43)80-58(89)47-22-23-57(88)76-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,75)(H,74,94)(H,76,88)(H,77,90)(H,78,91)(H,79,93)(H,80,89)(H,81,95)(H,82,92)(H4,69,70,72)/t47-,48-,49-,50+,51-,52-,53-,54-,55-/m0/s1 |
PubChem CID | 25085017 |
ChEMBL | CHEMBL2370542 |
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 |
---|---|---|---|---|---|
16002 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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