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Name | Histamine H3 receptor |
---|---|
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 | CHEMBL169026 |
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Molecular formula | C15H14ClN3S |
IUPAC name | 4-[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole |
Molecular weight | 303.808 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50214621 |
Inchi Key | BYPPCUMAIXZHRL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C15H14ClN3S/c16-12-3-1-11(2-4-12)7-14-9-20-15(19-14)6-5-13-8-17-10-18-13/h1-4,8-10H,5-7H2,(H,17,18) |
PubChem CID | 44380850 |
ChEMBL | CHEMBL169026 |
IUPHAR | N/A |
BindingDB | 50214621 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 199.53 nM | Bioorg. Med. Chem. Lett., (1996) 6:7:833 | ChEMBL |
Ki | 200.0 nM | N/A | BindingDB |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417