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Name | Bombesin receptor subtype-3 |
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Species | Homo sapiens (Human) |
Gene | BRS3 |
Synonym | bombesin receptor subtype-3 BRS-3 bombesin like receptor 3 BB3 receptor bb3 |
Disease | Breast cancer Cancer |
Length | 399 |
Amino acid sequence | MAQRQPHSPNQTLISITNDTESSSSVVSNDNTNKGWSGDNSPGIEALCAIYITYAVIISVGILGNAILIKVFFKTKSMQTVPNIFITSLAFGDLLLLLTCVPVDATHYLAEGWLFGRIGCKVLSFIRLTSVGVSVFTLTILSADRYKAVVKPLERQPSNAILKTCVKAGCVWIVSMIFALPEAIFSNVYTFRDPNKNMTFESCTSYPVSKKLLQEIHSLLCFLVFYIIPLSIISVYYSLIARTLYKSTLNIPTEEQSHARKQIESRKRIARTVLVLVALFALCWLPNHLLYLYHSFTSQTYVDPSAMHFIFTIFSRVLAFSNSCVNPFALYWLSKSFQKHFKAQLFCCKAERPEPPVADTSLTTLAVMGTVPGTGSIQMSEISVTSFTGCSVKQAEDRF |
UniProt | P32247 |
Protein Data Bank | N/A |
GPCR-HGmod model | P32247 |
3D structure model | This predicted structure model is from GPCR-EXP P32247. |
BioLiP | N/A |
Therapeutic Target Database | T68887 |
ChEMBL | CHEMBL4080 |
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 | D08RQW MK5046 Peak 1 (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 [ 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 | 14.0 nM | PMID25497965, PMID24900253 | BindingDB,ChEMBL |
EC50 | 25.0 nM | PMID24900253 | IUPHAR |
Emax | 100.0 % | PMID24900253 | ChEMBL |
IC50 | 27.0 nM | PMID24900253 | ChEMBL |
IC50 | 27.0 - 160.0 nM | PMID23892571, PMID24900253 | IUPHAR |
Ki | 3.7 nM | PMID24900253 | BindingDB,ChEMBL |
Ki | 3.71535 - 18.197 nM | PMID23892571, PMID24900253 | IUPHAR |
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