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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 | CHEMBL1171886 |
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Molecular formula | C21H24ClN3O2 |
IUPAC name | [6-(4-chlorophenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone |
Molecular weight | 385.892 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 3.9 |
Synonyms | BDBM50321464 SCHEMBL2974769 (6-(4-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone |
Inchi Key | AHYIQKYLWZRVTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H24ClN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2 |
PubChem CID | 24771420 |
ChEMBL | CHEMBL1171886 |
IUPHAR | N/A |
BindingDB | 50321464 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 3.98 nM | PMID20561786 | BindingDB |
Kd | 3.981 nM | PMID20561786 | ChEMBL |
Ki | 23.0 nM | PMID20561786 | BindingDB,ChEMBL |
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