You can:
Name | CHEMBL429723 |
---|---|
Molecular formula | C63H84FN19O12 |
IUPAC name | (3S,6S,9S,12S,15S)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-N-(2-amino-2-oxoethyl)-6,12-bis[3-(diaminomethylideneamino)propyl]-9-(2-methylpropyl)-5,8,11,14,17-pentaoxo-1,4,7,10,13-pentazacycloheptadecane-3-carboxamide |
Molecular weight | 1318.48 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 18 |
XlogP | -1.1 |
Synonyms | N/A |
Inchi Key | BVFOCPOBYCIGFT-INXYWQKQSA-N |
Inchi ID | InChI=1S/C63H84FN19O12/c1-33(2)23-45-57(91)76-44(14-8-22-72-63(69)70)56(90)82-49(54(88)75-31-51(66)85)30-74-52(86)28-48(60(94)77-43(55(89)79-45)13-7-21-71-62(67)68)81-61(95)50(32-84)83-59(93)47(27-38-29-73-42-12-6-5-11-40(38)42)80-58(92)46(26-34-16-19-39(64)20-17-34)78-53(87)41(65)25-35-15-18-36-9-3-4-10-37(36)24-35/h3-6,9-12,15-20,24,29,33,41,43-50,73,84H,7-8,13-14,21-23,25-28,30-32,65H2,1-2H3,(H2,66,85)(H,74,86)(H,75,88)(H,76,91)(H,77,94)(H,78,87)(H,79,89)(H,80,92)(H,81,95)(H,82,90)(H,83,93)(H4,67,68,71)(H4,69,70,72)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 |
PubChem CID | 44374323 |
ChEMBL | CHEMBL429723 |
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. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
33685 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218