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Name | Bombesin receptor subtype-3 |
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Species | Mus musculus (Mouse) |
Gene | Brs3 |
Synonym | bb3 BB3 receptor bombesin like receptor 3 bombesin receptor subtype-3 BRS-3 |
Disease | N/A for non-human GPCRs |
Length | 399 |
Amino acid sequence | MSQRQSQSPNQTLISITNDTETSSSVVSNDTTHKGWTGDNSPGIEALCAIYITYAGIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGKVGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPPNAILKTCAKAGGIWIVSMIFALPEAIFSNVYTFQDPNRNVTFESCNSYPISERLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIAKTVLVLVALFALCWLPNHLLYLYHSFTYESYANHSDVPFVIIIFSRVLAFSNSCVNPFALYWLSKTFQQHFKAQLCCLKAEQPEPPLGDIPLNNLTVMGRVPATGSAHVSEISVTLFSGSSAKKGEDKV |
UniProt | O54798 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1075140 |
IUPHAR | 40 |
DrugBank | N/A |
Name | MK-5046 |
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Molecular formula | C20H18F6N4O |
IUPAC name | (2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol |
Molecular weight | 444.381 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | (S)-2-(4-(1H-pyrazol-1-yl)phenyl)-1,1,1-trifluoro-3-(5-((1-(trifluoromethyl)cyclopropyl)methyl)-1H-imidazol-2-yl)propan-2-ol BCP23816 KB-333518 SCHEMBL3499662 1H-Imidazole-2-ethanol, a-[4-(1H-pyrazol-1-yl)phenyl]-a-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (aS)-;1H-Imidazole-2-ethanol, a-[4-(1H-pyrazol-1-yl)phenyl]-a-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (aS)- [ Show all ] |
Inchi Key | UJINBEQCDMOAHM-SFHVURJKSA-N |
Inchi ID | InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 |
PubChem CID | 49871766 |
ChEMBL | CHEMBL1672354 |
IUPHAR | 6170 |
BindingDB | 50336889 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 21.0 nM | PMID25497965, PMID24900253 | BindingDB,ChEMBL |
Emax | 120.0 % | PMID24900253 | ChEMBL |
IC50 | 5.4 nM | PMID24900253 | BindingDB,ChEMBL |
Ki | 1.6 nM | PMID24900253, PMID21036912 | BindingDB,IUPHAR,ChEMBL |
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