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Name | CHEMBL3272882 |
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Molecular formula | C73H94N14O15 |
IUPAC name | acetic acid;benzyl N-[(2S)-5-(benzylamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]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]amino]-1,5-dioxopentan-2-yl]carbamate |
Molecular weight | 1407.64 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 15 |
XlogP | None |
Synonyms | N/A |
Inchi Key | BXESZEVKMNQECD-IHUWZYGDSA-N |
Inchi ID | InChI=1S/C71H90N14O13.C2H4O2/c1-4-74-68(95)60-27-17-35-85(60)69(96)54(26-16-34-75-70(72)73)78-63(90)55(36-44(2)3)79-64(91)56(37-45-18-8-5-9-19-45)80-65(92)57(38-46-28-30-50(87)31-29-46)81-67(94)59(42-86)83-66(93)58(39-49-41-76-52-25-15-14-24-51(49)52)82-62(89)53(84-71(97)98-43-48-22-12-7-13-23-48)32-33-61(88)77-40-47-20-10-6-11-21-47;1-2(3)4/h5-15,18-25,28-31,41,44,53-60,76,86-87H,4,16-17,26-27,32-40,42-43H2,1-3H3,(H,74,95)(H,77,88)(H,78,90)(H,79,91)(H,80,92)(H,81,94)(H,82,89)(H,83,93)(H,84,97)(H4,72,73,75);1H3,(H,3,4)/t53-,54-,55-,56+,57-,58-,59-,60-;/m0./s1 |
PubChem CID | 90677791 |
ChEMBL | CHEMBL3272882 |
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. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
35016 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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