You can:
Name | Gonadotropin-releasing hormone receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | GNRHR |
Synonym | LHRHR GnRH I receptor Type I GnRHR gnRH receptor GnRH-R [ Show all ] |
Disease | Uterine leiomyoma Hypothalamic hypogonadism Ovulation Prostate cancer Prostate disease [ Show all ] |
Length | 328 |
Amino acid sequence | MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL |
UniProt | P30968 |
Protein Data Bank | N/A |
GPCR-HGmod model | P30968 |
3D structure model | This predicted structure model is from GPCR-EXP P30968. |
BioLiP | N/A |
Therapeutic Target Database | T12475 |
ChEMBL | CHEMBL1855 |
IUPHAR | 256 |
DrugBank | BE0000203 |
Name | CHEMBL113432 |
---|---|
Molecular formula | C39H50N4O2 |
IUPAC name | 1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-[2-(1-hydroxyethyl)pyridin-4-yl]ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one |
Molecular weight | 606.855 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 6.7 |
Synonyms | 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethyl-phenyl)-3-((S)-2-{2-[2-(1-hydroxy-ethyl)-pyridin-4-yl]-ethylamino}-1-methyl-ethyl)-1H-indol-5-yl]-2-methyl-propan-1-one BDBM50120657 1-(2-Azabicyclo[2.2.2]octane-2-yl)-2-methyl-2-[2-(3,5-dimethylphenyl)-3-[(S)-1-methyl-2-[2-[2-(1-hydroxyethyl)-4-pyridyl]ethylamino]ethyl]-1H-indole-5-yl]-1-propanone |
Inchi Key | AFYQABBRKIZIFQ-YHQYICKOSA-N |
Inchi ID | InChI=1S/C39H50N4O2/c1-24-17-25(2)19-30(18-24)37-36(26(3)22-40-15-13-28-14-16-41-35(20-28)27(4)44)33-21-31(9-12-34(33)42-37)39(5,6)38(45)43-23-29-7-10-32(43)11-8-29/h9,12,14,16-21,26-27,29,32,40,42,44H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,27?,29?,32?/m1/s1 |
PubChem CID | 44340928 |
ChEMBL | CHEMBL113432 |
IUPHAR | N/A |
BindingDB | 50120657 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.6 nM | PMID12392744 | ChEMBL |
IC50 | 0.6 nM | PMID12392744 | BindingDB |
IC50 | 20.0 nM | PMID12392744 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218