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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 | CHEMBL1762257 |
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Molecular formula | C17H22N4O3S |
IUPAC name | 1-[4-(benzylamino)pyridin-3-yl]sulfonyl-3-tert-butylurea |
Molecular weight | 362.448 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.4 |
Synonyms | 4-(benzylamino)-N-(tert-butylcarbamoyl)pyridine-3-sulfonamide BDBM50340974 |
Inchi Key | CCBRPMFCKGSWFQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C17H22N4O3S/c1-17(2,3)20-16(22)21-25(23,24)15-12-18-10-9-14(15)19-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,19)(H2,20,21,22) |
PubChem CID | 54586336 |
ChEMBL | CHEMBL1762257 |
IUPHAR | N/A |
BindingDB | 50340974 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 24.0 % | PMID21354793 | ChEMBL |
EC50 | 7500.0 nM | PMID21354793 | BindingDB,ChEMBL |
IC50 | <10000.0 nM | PMID21354793 | BindingDB,ChEMBL |
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