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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 | CHEMBL161565 |
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Molecular formula | C29H36FN5O4 |
IUPAC name | N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbutanamide |
Molecular weight | 537.636 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | SCHEMBL7251143 BDBM50139341 N-[(R)-2-(4-{3-[3-Fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-methyl-butyramide |
Inchi Key | ARDDCPMFWUUFHR-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C29H36FN5O4/c1-20(2)18-26(36)31-21(3)29(37)35-15-13-34(14-16-35)12-7-17-38-23-10-11-24(25(30)19-23)27-32-28(39-33-27)22-8-5-4-6-9-22/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,31,36)/t21-/m1/s1 |
PubChem CID | 44373941 |
ChEMBL | CHEMBL161565 |
IUPHAR | N/A |
BindingDB | 50139341 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 11.0 nM | PMID14741266 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417