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Name | G-protein coupled receptor 35 |
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Species | Homo sapiens (Human) |
Gene | GPR35 |
Synonym | G-protein coupled receptor 3 GPR35 KYNA receptor Kynurenic acid receptor |
Disease | N/A |
Length | 309 |
Amino acid sequence | MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA |
UniProt | Q9HC97 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q9HC97 |
3D structure model | This predicted structure model is from GPCR-EXP Q9HC97. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1293267 |
IUPHAR | 102 |
DrugBank | BE0005562 |
Name | MLS000701097 |
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Molecular formula | C25H26BrN3O3 |
IUPAC name | N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide |
Molecular weight | 496.405 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | HMS2547N14 N-[(E)-1-[5-(4-bromophenyl)furan-2-yl]-3-[3-(dimethylamino)propylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide BDBM61617 N-[2-[5-(4-bromophenyl)-2-furyl]-1-({[3-(dimethylamino)propyl]amino}carbonyl)vinyl]benzamide CHEMBL1583901 [ Show all ] |
Inchi Key | CELHVNGSELGNMX-OQKWZONESA-N |
Inchi ID | InChI=1S/C25H26BrN3O3/c1-29(2)16-6-15-27-25(31)22(28-24(30)19-7-4-3-5-8-19)17-21-13-14-23(32-21)18-9-11-20(26)12-10-18/h3-5,7-14,17H,6,15-16H2,1-2H3,(H,27,31)(H,28,30)/b22-17+ |
PubChem CID | 6072045 |
ChEMBL | CHEMBL1583901 |
IUPHAR | N/A |
BindingDB | 61617 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <32000.0 nM | PubChem BioAssay data set | ChEMBL |
IC50 | 32000.0 nM | N/A | BindingDB |
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