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Name | Neuropeptide S receptor |
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Species | Homo sapiens (Human) |
Gene | NPSR1 |
Synonym | G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor [ Show all ] |
Disease | Neurological disease |
Length | 371 |
Amino acid sequence | MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI |
UniProt | Q6W5P4 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q6W5P4 |
3D structure model | This predicted structure model is from GPCR-EXP Q6W5P4. |
BioLiP | N/A |
Therapeutic Target Database | T20958 |
ChEMBL | CHEMBL5162 |
IUPHAR | 302 |
DrugBank | BE0000948 |
Name | MLS000041320 |
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Molecular formula | C22H23N5 |
IUPAC name | 4-(4-benzylpiperazin-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole |
Molecular weight | 357.461 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | AC1LDAVG 4-(4-benzylpiperazin-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole SMR000044826 7-methyl-4-[4-(phenylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole HMS2469E05 [ Show all ] |
Inchi Key | DELDQGNRAOOFAU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23N5/c1-16-7-8-18-19(13-16)25-21-20(18)23-15-24-22(21)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3 |
PubChem CID | 664077 |
ChEMBL | CHEMBL1312087 |
IUPHAR | N/A |
BindingDB | 36935 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Potency | 15848.9 nM | PubChem BioAssay data set | ChEMBL |
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