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Name | Histamine H1 receptor |
---|---|
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 | CHEMBL309106 |
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Molecular formula | C33H39N5O5 |
IUPAC name | 2-[4-(dimethylamino)phenyl]-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide |
Molecular weight | 585.705 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | SCHEMBL6585005 BDBM50088394 RWJ-69442 2-(4-Dimethylamino-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide |
Inchi Key | LQTJOPPTSIYEES-SANMLTNESA-N |
Inchi ID | InChI=1S/C33H39N5O5/c1-22(2)43-30-8-6-5-7-29(30)37-17-15-36(16-18-37)21-26(39)20-34-31(40)23-9-14-27-28(19-23)33(42)38(32(27)41)25-12-10-24(11-13-25)35(3)4/h5-14,19,22,26,39H,15-18,20-21H2,1-4H3,(H,34,40)/t26-/m0/s1 |
PubChem CID | 9894665 |
ChEMBL | CHEMBL309106 |
IUPHAR | N/A |
BindingDB | 50088394 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 88.0 % | PMID10841797 | ChEMBL |
Ki | 38.0 nM | PMID10841797 | BindingDB,ChEMBL |
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