You can:
Name | Cysteinyl leukotriene receptor 2 |
---|---|
Species | Homo sapiens (Human) |
Gene | CYSLTR2 |
Synonym | CysLTR2 CysLT2 receptor LTC4 HPN321 hGPCR21 [ Show all ] |
Disease | Unspecified Asthma |
Length | 346 |
Amino acid sequence | MERKFMSLQPSISVSEMEPNGTFSNNNSRNCTIENFKREFFPIVYLIIFFWGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISDLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRFLAMVHPFRLLHVTSIRSAWILCGIIWILIMASSIMLLDSGSEQNGSVTSCLELNLYKIAKLQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEVPESGLRVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGLCKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRKGHPQKAKTKCVFPVSVWLRKETRV |
UniProt | Q9NS75 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q9NS75 |
3D structure model | This predicted structure model is from GPCR-EXP Q9NS75. |
BioLiP | N/A |
Therapeutic Target Database | T74238 |
ChEMBL | CHEMBL4330 |
IUPHAR | 270 |
DrugBank | BE0000099 |
Name | CysLT2cpd |
---|---|
Molecular formula | C34H39NO8 |
IUPAC name | 3-[(3-carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-phenoxybutoxy)phenyl]propoxy]benzoic acid |
Molecular weight | 589.685 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 6.2 |
Synonyms | BayCysLT2 GKPAULTWHHPIHX-UHFFFAOYSA-N 1380AH 3-{[(3-Carboxycyclohexyl)amino]carbonyl}-4-{3-[4-(4-phenoxybutoxy)phenyl]-propoxy}benzoic acid 712313-33-2 [ Show all ] |
Inchi Key | GKPAULTWHHPIHX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H39NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h1-3,11-18,23,25,27H,4-10,19-22H2,(H,35,36)(H,37,38)(H,39,40) |
PubChem CID | 53394034 |
ChEMBL | CHEMBL3342945 |
IUPHAR | 6196 |
BindingDB | 50033097 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
A2 | 3.98107 nM | PMID21753081 | IUPHAR |
A2 | 5.01187 nM | PMID21753081 | IUPHAR |
IC50 | 53.0 nM | PMID26985325, PMID25408836 | BindingDB,ChEMBL |
IC50 | 53.0 - 274.0 nM | PMID21903747 | IUPHAR |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417