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Name | Melatonin receptor type 1A |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Mtnr1a |
Synonym | Mel-1A-R mel1a receptor MelR MT1 receptor |
Disease | N/A for non-human GPCRs |
Length | 156 |
Amino acid sequence | CYICHSLKYDRIYSNKNSLCYVFLIWTLTLIAIMPNLQTGTLQYDPRIYSCTFTQSVSSAYTIALVVFHFVVPMIIVTFCYLRIWILVLQVRRRVKPDSKPKLKPQDFRNFVTMFVVFVLFALCWAPLNFIGLIVASDPATMAPRIPEWLFVASYY |
UniProt | P49218 |
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 | N/A |
IUPHAR | N/A |
DrugBank | N/A |
Name | BCTC |
---|---|
Molecular formula | C20H25ClN4O |
IUPAC name | N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide |
Molecular weight | 372.897 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | NCGC00370959-01 AZ0001-0587 CHEMBL441472 HY-19960 TRA0012037 [ Show all ] |
Inchi Key | ROGUAPYLUCHQGK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26) |
PubChem CID | 9929425 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50133817 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <10000.0 nM | PMID12721338 | BindingDB |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417