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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 | CHEMBL1099122 |
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Molecular formula | C23H28N6O |
IUPAC name | N-(7-benzyl-5-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-yl)acetamide |
Molecular weight | 404.518 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.0 |
Synonyms | BDBM50317456 N-(7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl)acetamide |
Inchi Key | WEIPWMGBTKAMHJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H28N6O/c1-16(30)24-21-20-18-10-13-28(14-17-8-4-2-5-9-17)15-19(18)23(25-22(20)27-26-21)29-11-6-3-7-12-29/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,25,26,27,30) |
PubChem CID | 46887980 |
ChEMBL | CHEMBL1099122 |
IUPHAR | N/A |
BindingDB | 50317456 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 31.0 % | PMID20371178 | ChEMBL |
EC50 | 3164.0 nM | PMID20371178 | BindingDB,ChEMBL |
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