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Name | 5-hydroxytryptamine receptor 1B |
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Species | Homo sapiens (Human) |
Gene | HTR1B |
Synonym | 5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor [ Show all ] |
Disease | Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders [ Show all ] |
Length | 390 |
Amino acid sequence | MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS |
UniProt | P28222 |
Protein Data Bank | 4iar, 6g79, 5v54 |
GPCR-HGmod model | P28222 |
3D structure model | This structure is from PDB ID 4iar. |
BioLiP | BL0239857, BL0403524,BL0403525, BL0417722 |
Therapeutic Target Database | T07806 |
ChEMBL | CHEMBL1898 |
IUPHAR | 2 |
DrugBank | BE0000797 |
Name | 148672-13-3 |
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Molecular formula | C29H31N5O3 |
IUPAC name | N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide |
Molecular weight | 497.599 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | BDBM79215 CTK8B9473 GR-127,935 LS-44235 N-[4-METHOXY-3-(4-METHYLPIPERAZIN-1-YL)-PHENYL]-4-[2-METHYL-4-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENYL]BENZAMIDE [ Show all ] |
Inchi Key | YDBCEBYHYKAFRX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) |
PubChem CID | 107780 |
ChEMBL | CHEMBL15928 |
IUPHAR | 14 |
BindingDB | 79215 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IA | 0.47 - | PMID15887956 | ChEMBL |
Intrinsic activity | 0.3 - | PMID17629698 | ChEMBL |
Intrinsic activity | 0.64 % | PMID9548813 | ChEMBL |
Ki | 0.14 nM | PMID16143528, PMID9397179, Bioorg. Med. Chem. Lett., (1997) 7:24:3183 | PDSP,ChEMBL |
Ki | 0.14 nM | , PMID16143528 | BindingDB |
Ki | 0.158489 - 1.0 nM | PMID9397179, PMID9303567, PMID9776361, PMID8957260, PMID9548813 | IUPHAR |
Ki | 0.43 nM | PMID9303569 | PDSP,BindingDB |
Ki | 0.630957 nM | PMID10513577 | IUPHAR |
Ki | 0.93 nM | PMID9776361 | PDSP,BindingDB |
Ki | 1.0 nM | PMID9548813, PMID9303567 | PDSP,BindingDB,ChEMBL |
Ki | 1.25 nM | PMID8788495 | PDSP |
Ki | 1.3 nM | PMID9303569 | PDSP,BindingDB |
Ki | 4.3 nM | PMID16143528 | BindingDB |
Ki | 4.31 nM | PMID16143528 | PDSP,ChEMBL |
Ki | 7.94 nM | PMID9303567 | PDSP,BindingDB |
Simulation | 143.0 % | PMID9548813 | ChEMBL |
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