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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 | MLS-0004183.0001 |
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Molecular formula | C22H29ClN6O2 |
IUPAC name | 7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione |
Molecular weight | 444.964 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 2.8 |
Synonyms | 851937-66-1 HMS2413N04 REGID_for_CID_666267 ZINC96305233 7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione [ Show all ] |
Inchi Key | CYKISVYTUCOJRU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3 |
PubChem CID | 666267 |
ChEMBL | CHEMBL1444568 |
IUPHAR | N/A |
BindingDB | 65735 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2180.0 nM | N/A | BindingDB |
IC50 | 3510.0 nM | N/A | BindingDB |
IC50 | 5939.0 nM | N/A | BindingDB |
IC50 | 8700.0 nM | N/A | BindingDB |
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