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Name | Histamine H1 receptor |
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Species | Cavia porcellus (Guinea pig) |
Gene | HRH1 |
Synonym | H1R HH1R |
Disease | N/A for non-human GPCRs |
Length | 488 |
Amino acid sequence | MSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP |
UniProt | P31389 |
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 | CHEMBL3943 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3220888 |
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Molecular formula | C21H30N4O2 |
IUPAC name | N-[N'-[3-[5-[(dimethylamino)methyl]furan-2-yl]propyl]carbamimidoyl]-3-phenylbutanamide |
Molecular weight | 370.497 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | N/A |
Inchi Key | BCHZZFRPLSLIAG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H30N4O2/c1-16(17-8-5-4-6-9-17)14-20(26)24-21(22)23-13-7-10-18-11-12-19(27-18)15-25(2)3/h4-6,8-9,11-12,16H,7,10,13-15H2,1-3H3,(H3,22,23,24,26) |
PubChem CID | 90667430 |
ChEMBL | CHEMBL3220888 |
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 |
---|---|---|---|
Kd | 3019.95 nM | MedChemComm, (2014) 5:1:72 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417