You can:
Name | Histamine H1 receptor |
---|---|
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 | CHEMBL452847 |
---|---|
Molecular formula | C18H20ClN5S |
IUPAC name | 6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine |
Molecular weight | 373.903 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50412494 J3.528.910K 2-(4-Methyl-1-piperazinyl)-4-(2-thienylmethylamino)-6-chloroquinazoline VUF-10497 |
Inchi Key | OLJSGKYQYTWQNJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H20ClN5S/c1-23-6-8-24(9-7-23)18-21-16-5-4-13(19)11-15(16)17(22-18)20-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22) |
PubChem CID | 25147772 |
ChEMBL | CHEMBL452847 |
IUPHAR | N/A |
BindingDB | 50412494 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 19.95 nM | PMID19053770 | BindingDB,ChEMBL |
Ki | 549.54 nM | PMID26718844 | ChEMBL |
Ki | 550.0 nM | PMID26718844 | BindingDB |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218