You can:
Name | CHEMBL408335 |
---|---|
Molecular formula | C81H103ClN16O15 |
IUPAC name | (2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-acetamidobenzoyl)-methylamino]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-acetamidophenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide |
Molecular weight | 1576.26 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 14 |
XlogP | 4.7 |
Synonyms | [D or LAgl (Me, 4-(acetylamino)benzoyl)6]acyline BDBM50060810 |
Inchi Key | BMGOJKRFAAFFAQ-VSDDADFSSA-N |
Inchi ID | InChI=1S/C81H103ClN16O15/c1-46(2)38-63(72(104)90-62(19-12-13-36-85-47(3)4)81(113)98-37-15-20-69(98)78(110)86-48(5)70(83)103)94-79(111)71(97(9)80(112)57-27-33-61(34-28-57)88-50(7)101)96-76(108)66(41-53-24-31-60(32-25-53)87-49(6)100)93-77(109)68(45-99)95-75(107)67(43-55-16-14-35-84-44-55)92-74(106)65(40-52-22-29-59(82)30-23-52)91-73(105)64(89-51(8)102)42-54-21-26-56-17-10-11-18-58(56)39-54/h10-11,14,16-18,21-35,39,44,46-48,62-69,71,85,99H,12-13,15,19-20,36-38,40-43,45H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,105)(H,92,106)(H,93,109)(H,94,111)(H,95,107)(H,96,108)/t48-,62+,63+,64-,65-,66+,67-,68+,69-,71+/m1/s1 |
PubChem CID | 44348310 |
ChEMBL | CHEMBL408335 |
IUPHAR | N/A |
BindingDB | 50060810 |
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 |
---|---|---|---|---|---|
27451 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218