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Name | Histamine H1 receptor |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Hrh1 |
Synonym | H1 receptor H1R HH1R Hisr |
Disease | N/A for non-human GPCRs |
Length | 486 |
Amino acid sequence | MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS |
UniProt | P31390 |
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 | CHEMBL4701 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL275109 |
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Molecular formula | C22H23ClN2O |
IUPAC name | 1-[4-(13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone |
Molecular weight | 366.889 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | BDBM50281829 SCHEMBL8877955 1-[4-(8-Chloro-3-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidin-1-yl]-ethanone |
Inchi Key | IPEVIECOSRVVCZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23ClN2O/c1-14-11-18-4-3-17-12-19(23)5-6-20(17)21(22(18)24-13-14)16-7-9-25(10-8-16)15(2)26/h5-6,11-13H,3-4,7-10H2,1-2H3 |
PubChem CID | 44267108 |
ChEMBL | CHEMBL275109 |
IUPHAR | N/A |
BindingDB | 50281829 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 70.0 nM | , Bioorg. Med. Chem. Lett., (1993) 3:6:1073 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417