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Name | 5-hydroxytryptamine receptor 1B |
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Species | Cricetulus griseus (Chinese hamster) |
Gene | HTR1B |
Synonym | 5-HT-1B 5-HT1B Serotonin receptor 1B |
Disease | N/A for non-human GPCRs |
Length | 386 |
Amino acid sequence | MEEQGIQCAPPPPAASQTGVPLVNLSHNCSAESHIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPVSTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVEYAAKRTPKRAAIMIALVWVFSISISLPPFFWRQAKAEEEVLTCLVNTDHVLYTVYSTGGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTTSVTSINSRAPDLPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMATLDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCAG |
UniProt | P46636 |
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 | CHEMBL3707466 |
IUPHAR | N/A |
DrugBank | N/A |
Name | SCHEMBL931161 |
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Molecular formula | C27H29N5O2 |
IUPAC name | N-methyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide |
Molecular weight | 455.562 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.4 |
Synonyms | US8859534, 21 CHEMBL3647279 BDBM136335 |
Inchi Key | ICBLNAUTYHYELQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H29N5O2/c1-30(20-21-6-5-11-28-19-21)27(33)25-18-22-7-4-9-24(26(22)34-25)32-16-14-31(15-17-32)13-10-23-8-2-3-12-29-23/h2-9,11-12,18-19H,10,13-17,20H2,1H3 |
PubChem CID | 59636760 |
ChEMBL | CHEMBL3647279 |
IUPHAR | N/A |
BindingDB | 136335 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 63.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417