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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 | CHEMBL2164576 |
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Molecular formula | C28H25F3N4O2S |
IUPAC name | 6-(4-tert-butylphenyl)sulfonyl-7-pyridin-3-yl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine |
Molecular weight | 538.589 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 6.2 |
Synonyms | 6-[(4-tert-Butylphenyl)sulfonyl]-7-(3-pyridinyl)-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b]-[1,5]benzodiazepine BDBM50394617 KKNAGRBYEXJAHC-UHFFFAOYSA-N SCHEMBL1085813 |
Inchi Key | KKNAGRBYEXJAHC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H25F3N4O2S/c1-27(2,3)20-10-12-21(13-11-20)38(36,37)35-17-19-9-14-24(28(29,30)31)34-26(19)33-23-8-4-7-22(25(23)35)18-6-5-15-32-16-18/h4-16H,17H2,1-3H3,(H,33,34) |
PubChem CID | 59618747 |
ChEMBL | CHEMBL2164576 |
IUPHAR | N/A |
BindingDB | 50394617 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 99.0 % | PMID24900461 | ChEMBL |
EC50 | 42.0 nM | PMID24900461 | BindingDB,ChEMBL |
IC50 | 1.72 nM | PMID24900461 | BindingDB,ChEMBL |
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