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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 | CHEMBL3597624 |
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Molecular formula | C36H38ClNO5 |
IUPAC name | 4-[1-(3-carboxypropyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid |
Molecular weight | 600.152 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 8.0 |
Synonyms | BDBM50104911 SCHEMBL598562 4,4'-(2-Methyl-7-(4-(4-(2-methyl-3-chlorophenyl)butyl)oxyphenyl)ethynyl-1H-indole-1,3-diyl)bisbutyric acid |
Inchi Key | FHIWKHKLAOPBDE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42) |
PubChem CID | 46834997 |
ChEMBL | CHEMBL3597624 |
IUPHAR | N/A |
BindingDB | 50104911 |
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 | 2.2 nM | PMID26200813 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417