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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 | CHEMBL3356402 |
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Molecular formula | C19H18F3N3O4 |
IUPAC name | 2-[(5R)-4-[2-(3-hydroxyphenyl)acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid |
Molecular weight | 409.365 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 1.9 |
Synonyms | 8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[(3-hydroxyphenyl)acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5alpha-acetic acid BDBM50041414 |
Inchi Key | IZFUPPZOBLFMFM-CQSZACIVSA-N |
Inchi ID | InChI=1S/C19H18F3N3O4/c20-19(21,22)15-5-4-13-14(10-17(28)29)25(7-6-23-18(13)24-15)16(27)9-11-2-1-3-12(26)8-11/h1-5,8,14,26H,6-7,9-10H2,(H,23,24)(H,28,29)/t14-/m1/s1 |
PubChem CID | 118721521 |
ChEMBL | CHEMBL3356402 |
IUPHAR | N/A |
BindingDB | 50041414 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <10000.0 nM | PMID25497965 | BindingDB,ChEMBL |
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