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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 | CHEMBL143874 |
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Molecular formula | C33H34ClNO3S |
IUPAC name | (2S)-3-[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2-methylpropanoic acid |
Molecular weight | 560.149 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 7.7 |
Synonyms | (S)-3-{(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-2-methyl-propionic acid BDBM50283943 |
Inchi Key | BRMJNEYUMHYBOP-OKGRURTHSA-N |
Inchi ID | InChI=1S/C33H34ClNO3S/c1-22(32(36)37)21-39-31(18-14-24-8-4-5-10-29(24)33(2,3)38)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,31,38H,14,18,21H2,1-3H3,(H,36,37)/b16-11+/t22-,31+/m1/s1 |
PubChem CID | 15859367 |
ChEMBL | CHEMBL143874 |
IUPHAR | N/A |
BindingDB | 50283943 |
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 | 2.7 nM | Bioorg. Med. Chem. Lett., (1994) 4:3:463, | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218