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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 | CHEMBL135410 |
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Molecular formula | C16H23ClN4O2 |
IUPAC name | 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide |
Molecular weight | 338.836 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | SCHEMBL7444343 |
Inchi Key | BCLLSLQFCCDNIE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H23ClN4O2/c1-21-10-4-3-5-11(21)7-9(6-10)19-15(22)12-8-13(17)14(18)20-16(12)23-2/h8-11H,3-7H2,1-2H3,(H2,18,20)(H,19,22) |
PubChem CID | 11724735 |
ChEMBL | CHEMBL135410 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 0.3981 nM | Bioorg. Med. Chem. Lett., (1995) 5:1:39 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417