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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 | CHEMBL392008 |
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Molecular formula | C86H94F4N20O14 |
IUPAC name | ethyl 3-[[benzyl-[2-[[1-[2-[2-[2-[2-[2-[4-[[[2-[benzyl-[[8-[(2,6-difluorophenyl)methyl]-6-ethoxycarbonyl-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidin-3-yl]methyl]amino]acetyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylamino]-2-oxoethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate |
Molecular weight | 1707.82 |
Hydrogen bond acceptor | 28 |
Hydrogen bond donor | 6 |
XlogP | 5.8 |
Synonyms | BDBM50423185 |
Inchi Key | BCVFRJFPAFGAIY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C86H94F4N20O14/c1-5-91-83(117)95-61-29-25-59(26-30-61)77-73(109-79(113)67(81(115)123-7-3)51-105(85(109)97-77)49-65-69(87)21-15-22-70(65)88)53-103(45-57-17-11-9-12-18-57)55-75(111)93-43-63-47-107(101-99-63)33-35-119-37-39-121-41-42-122-40-38-120-36-34-108-48-64(100-102-108)44-94-76(112)56-104(46-58-19-13-10-14-20-58)54-74-78(60-27-31-62(32-28-60)96-84(118)92-6-2)98-86-106(50-66-71(89)23-16-24-72(66)90)52-68(80(114)110(74)86)82(116)124-8-4/h9-32,47-48,51-52H,5-8,33-46,49-50,53-56H2,1-4H3,(H,93,111)(H,94,112)(H2,91,95,117)(H2,92,96,118) |
PubChem CID | 44434438 |
ChEMBL | CHEMBL392008 |
IUPHAR | N/A |
BindingDB | 50423185 |
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. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 89.0 % | PMID17517510 | ChEMBL |
IC50 | 309.0 nM | PMID17517510 | BindingDB |
IC50 | 309.03 nM | PMID17517510 | ChEMBL |
Ki | 194.98 nM | PMID17517510 | ChEMBL |
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