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Name | Cysteinyl leukotriene receptor 1 |
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Species | Cavia porcellus (Guinea pig) |
Gene | CYSLTR1 |
Synonym | CysLTR1 Cysteinyl leukotriene D4 receptor LTD4 receptor |
Disease | N/A for non-human GPCRs |
Length | 340 |
Amino acid sequence | MDETGNPTIPPASNNTCYDSIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLVKTYHEKSAFQVYMINLAVADLLCVCTLPLRVAYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCVAIVFPVQNISLVTQKKARLVCIAIWMFVILTSSPFLMANTYKDEKNNTKCFEPPQDNQAKNYVLILHYVSLFIGFIIPFITIIVCYTMIIFTLLKSSMKKNLSSRKRAIGMIIVVTAAFLVSFMPYHIQRTIHLHFLHNKTKPCDSILRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRRRLSTIRKYSLSSMTYIPKKKTSLPQKGKDICKE |
UniProt | Q2NNR5 |
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 | CHEMBL5645 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL344756 |
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Molecular formula | C33H32ClNO4S |
IUPAC name | (2S)-3-[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-ethoxycarbonylphenyl)propyl]sulfanyl-2-methylpropanoic acid |
Molecular weight | 574.132 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 8.2 |
Synonyms | 2-((S)-3-((S)-2-Carboxy-propylsulfanyl)-3-{3-[(E)-2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-propyl)-benzoic acid ethyl ester BDBM50283942 |
Inchi Key | BNXUHPAPHBXDAG-OKGRURTHSA-N |
Inchi ID | InChI=1S/C33H32ClNO4S/c1-3-39-33(38)29-10-5-4-8-24(29)14-18-31(40-21-22(2)32(36)37)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,31H,3,14,18,21H2,1-2H3,(H,36,37)/b16-11+/t22-,31+/m1/s1 |
PubChem CID | 44361525 |
ChEMBL | CHEMBL344756 |
IUPHAR | N/A |
BindingDB | 50283942 |
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 |
---|---|---|---|
IC50 | 3.7 nM | Bioorg. Med. Chem. Lett., (1994) 4:3:463, | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218