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Name | Histamine H1 receptor |
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Species | Homo sapiens (Human) |
Gene | HRH1 |
Synonym | HH1R H1R Hisr H1 receptor |
Disease | Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder [ Show all ] |
Length | 487 |
Amino acid sequence | MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS |
UniProt | P35367 |
Protein Data Bank | 3rze |
GPCR-HGmod model | P35367 |
3D structure model | This structure is from PDB ID 3rze. |
BioLiP | BL0202178, BL0202179, BL0202180 |
Therapeutic Target Database | T77913 |
ChEMBL | CHEMBL231 |
IUPHAR | 262 |
DrugBank | BE0000442 |
Name | CHEMBL302005 |
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Molecular formula | C20H21NO3 |
IUPAC name | 2-[(11E)-11-[2-(dimethylamino)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid |
Molecular weight | 323.392 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 1.0 |
Synonyms | 6,11-Dihydro-11-[(E)-2-dimethylaminoethylidene]dibenz[b,e]oxepin-2-acetic acid 6,11-Dihydro-11-[2-(dimethylamino)ethylidene]dibenz[b,e]oxepin-2-acetic acid BDBM50002088 [11-(2-Dimethylamino-ethylidene)-6,11-dihydro-dibenzo[b,e]oxepin-2-yl]-acetic acid |
Inchi Key | BMMSDSQQAGDCHS-RQZCQDPDSA-N |
Inchi ID | InChI=1S/C20H21NO3/c1-21(2)10-9-17-16-6-4-3-5-15(16)13-24-19-8-7-14(11-18(17)19)12-20(22)23/h3-9,11H,10,12-13H2,1-2H3,(H,22,23)/b17-9+ |
PubChem CID | 15749427 |
ChEMBL | CHEMBL302005 |
IUPHAR | N/A |
BindingDB | 50002088 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 11.0 nM | PMID16220969, PMID22931505 | BindingDB,ChEMBL |
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