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Name | Gonadotropin-releasing hormone receptor |
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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 | CHEMBL420051 |
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Molecular formula | C41H54N4O |
IUPAC name | 1-(8-azaspiro[4.5]decan-8-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one |
Molecular weight | 618.91 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 9.1 |
Synonyms | 1-(8-Aza-spiro[4.5]dec-8-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one BDBM50104547 2-(3,5-Dimethylphenyl)-3-[(S)-1-methyl-2-[4-(4-pyridinyl)butylamino]ethyl]-5-[1,1-dimethyl-2-oxo-2-(8-azaspiro[4.5]decane-8-yl)ethyl]-1H-indole |
Inchi Key | AOVBJNVFOOZDSI-WJOKGBTCSA-N |
Inchi ID | InChI=1S/C41H54N4O/c1-29-24-30(2)26-33(25-29)38-37(31(3)28-43-19-9-6-10-32-13-20-42-21-14-32)35-27-34(11-12-36(35)44-38)40(4,5)39(46)45-22-17-41(18-23-45)15-7-8-16-41/h11-14,20-21,24-27,31,43-44H,6-10,15-19,22-23,28H2,1-5H3/t31-/m1/s1 |
PubChem CID | 44321147 |
ChEMBL | CHEMBL420051 |
IUPHAR | N/A |
BindingDB | 50104547 |
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 | 2.7 nM | PMID11551758 | BindingDB,ChEMBL |
IC50 | 93.0 nM | PMID11551758 | BindingDB,ChEMBL |
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