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Name | Histamine H3 receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Hrh3 |
Synonym | GPCR97 H3 receptor H3R HH3R |
Disease | N/A for non-human GPCRs |
Length | 445 |
Amino acid sequence | MERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK |
UniProt | Q9QYN8 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4124 |
IUPHAR | 264 |
DrugBank | N/A |
Name | CHEMBL158056 |
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Molecular formula | C27H34FN5O5 |
IUPAC name | N-[(2R)-1-[4-[3-[3-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide |
Molecular weight | 527.597 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50139332 Furan-2-carboxylic acid [(R)-2-(4-{3-[3-fluoro-4-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-[1,4]diazepan-1-yl)-1-methyl-2-oxo-ethyl]-amide |
Inchi Key | AKFRORBIZCPZBM-LJQANCHMSA-N |
Inchi ID | InChI=1S/C27H34FN5O5/c1-18(2)26-30-24(31-38-26)21-9-8-20(17-22(21)28)36-16-6-11-32-10-5-12-33(14-13-32)27(35)19(3)29-25(34)23-7-4-15-37-23/h4,7-9,15,17-19H,5-6,10-14,16H2,1-3H3,(H,29,34)/t19-/m1/s1 |
PubChem CID | 44373858 |
ChEMBL | CHEMBL158056 |
IUPHAR | N/A |
BindingDB | 50139332 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2.1 nM | PMID14741266 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417