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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 | CHEMBL1098837 |
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Molecular formula | C27H36N6O |
IUPAC name | N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)-3,3-dimethylbutanamide |
Molecular weight | 460.626 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.7 |
Synonyms | BDBM50317452 N-(7-Benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)-3,3-dimethylbutanamide |
Inchi Key | WBNUUTHVNVJVKP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H36N6O/c1-27(2,3)16-22(34)28-24-23-20-12-15-32(17-19-10-6-4-7-11-19)18-21(20)26(29-25(23)31-30-24)33-13-8-5-9-14-33/h4,6-7,10-11H,5,8-9,12-18H2,1-3H3,(H2,28,29,30,31,34) |
PubChem CID | 46888018 |
ChEMBL | CHEMBL1098837 |
IUPHAR | N/A |
BindingDB | 50317452 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 52.0 % | PMID20371178 | ChEMBL |
EC50 | 1234.0 nM | PMID20371178 | BindingDB,ChEMBL |
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