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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 | CHEMBL120834 |
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Molecular formula | C33H43ClN4O2 |
IUPAC name | N-[[4-[[(4-chloropyrimidin-2-yl)amino]methyl]cyclohexyl]methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide |
Molecular weight | 563.183 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 9.0 |
Synonyms | BDBM50121480 N-[4-(4-Chloro-2-pyrimidinylaminomethyl)cyclohexylmethyl]-5-(1,1,4,4,7-pentamethyltetralin-6-ylmethyl)furan-2-carboxamide 5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid {4-[(4-chloro-pyrimidin-2-ylamino)-methyl]-cyclohexylmethyl}-amide |
Inchi Key | AUMBLKQANNOJJN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H43ClN4O2/c1-21-16-26-27(33(4,5)14-13-32(26,2)3)18-24(21)17-25-10-11-28(40-25)30(39)36-19-22-6-8-23(9-7-22)20-37-31-35-15-12-29(34)38-31/h10-12,15-16,18,22-23H,6-9,13-14,17,19-20H2,1-5H3,(H,36,39)(H,35,37,38) |
PubChem CID | 21047815 |
ChEMBL | CHEMBL120834 |
IUPHAR | N/A |
BindingDB | 50121480 |
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 |
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Ki | 170.0 nM | PMID12443792 | BindingDB,ChEMBL |
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