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Name | BDBM50085774 |
---|---|
Molecular formula | C71H91ClN18O14 |
IUPAC name | (1R,6R,9R,15S,18R,21R,24R,35R,38S,41R)-35-acetamido-15-(3-carbamimidamidopropyl)-38-[(4-chlorophenyl)methyl]-41-(1H-indol-3-ylmethyl)-18-(2-methylpropyl)-21-(naphthalen-2-ylmethyl)-3,8,14,17,20,23,29,32,36,39,42,44-dodecaoxo-4,7,13,16,19,22,28,31,37,40,43,45-dodecazatricyclo[22.19.2.09,13]pentatetracontane-6-carboxamide |
Molecular weight | 1456.07 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 17 |
XlogP | 1.2 |
Synonyms | N/A |
Inchi Key | BCQNAQQVWSGKHZ-WLUZFLQQSA-N |
Inchi ID | InChI=1S/C71H91ClN18O14/c1-38(2)29-51-64(98)83-50(16-9-27-77-71(74)75)70(104)90-28-10-17-57(90)69(103)89-56(61(73)95)36-79-59(93)34-55-68(102)82-48(62(96)86-53(66(100)84-51)32-41-18-21-42-11-4-5-12-43(42)30-41)15-8-26-76-60(94)37-80-58(92)25-24-49(81-39(3)91)63(97)85-52(31-40-19-22-45(72)23-20-40)65(99)87-54(67(101)88-55)33-44-35-78-47-14-7-6-13-46(44)47/h4-7,11-14,18-23,30,35,38,48-57,78H,8-10,15-17,24-29,31-34,36-37H2,1-3H3,(H2,73,95)(H,76,94)(H,79,93)(H,80,92)(H,81,91)(H,82,102)(H,83,98)(H,84,100)(H,85,97)(H,86,96)(H,87,99)(H,88,101)(H,89,103)(H4,74,75,77)/t48-,49-,50+,51-,52+,53-,54-,55-,56-,57-/m1/s1 |
PubChem CID | 91931277 |
ChEMBL | CHEMBL385982 |
IUPHAR | N/A |
BindingDB | 50085774 |
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 |
---|---|---|---|---|---|
20410 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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