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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 | CHEMBL3115388 |
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Molecular formula | C25H21F4N3O4 |
IUPAC name | 2-[(5R)-4-[2-[3-(4-fluorophenoxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid |
Molecular weight | 503.454 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM50447477 |
Inchi Key | DZNWQESWFVZQIO-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C25H21F4N3O4/c26-16-4-6-17(7-5-16)36-18-3-1-2-15(12-18)13-22(33)32-11-10-30-24-19(20(32)14-23(34)35)8-9-21(31-24)25(27,28)29/h1-9,12,20H,10-11,13-14H2,(H,30,31)(H,34,35)/t20-/m1/s1 |
PubChem CID | 76328698 |
ChEMBL | CHEMBL3115388 |
IUPHAR | N/A |
BindingDB | 50447477 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 1.7 nM | PMID25497965, PMID24412111 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417