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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 | CHEMBL277848 |
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Molecular formula | C34H46N8O5 |
IUPAC name | N-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexyl]-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide |
Molecular weight | 646.793 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | N-[6-[Methyl[2-[2-pyridinyl(4-methoxybenzyl)amino]ethyl]amino]hexyl]-6-(7-nitro-2,1,3-benzoxadiazole-4-ylamino)hexanamide BDBM50404167 |
Inchi Key | CCLANJAQOUQKCP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H46N8O5/c1-40(24-25-41(31-12-7-10-21-36-31)26-27-14-16-28(46-2)17-15-27)23-11-4-3-8-22-37-32(43)13-6-5-9-20-35-29-18-19-30(42(44)45)34-33(29)38-47-39-34/h7,10,12,14-19,21,35H,3-6,8-9,11,13,20,22-26H2,1-2H3,(H,37,43) |
PubChem CID | 10484346 |
ChEMBL | CHEMBL277848 |
IUPHAR | N/A |
BindingDB | 50404167 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
pKB | 9.05 - | PMID12657255 | ChEMBL |
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