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Name | Cysteinyl leukotriene receptor 1 |
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Species | Homo sapiens (Human) |
Gene | CYSLTR1 |
Synonym | LTD4 receptor LTD4 leukotriene D4 receptor HMTMF81 HG55 [ Show all ] |
Disease | N/A |
Length | 337 |
Amino acid sequence | MDETGNLTVSSATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQVYMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCSIFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLMAKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYTMIILTLLKKSMKKNLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTIHLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGGNFRKRLSTFRKHSLSSVTYVPRKKASLPEKGEEICKV |
UniProt | Q9Y271 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q9Y271 |
3D structure model | This predicted structure model is from GPCR-EXP Q9Y271. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1798 |
IUPHAR | 269 |
DrugBank | BE0000705 |
Name | CHEMBL140381 |
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Molecular formula | C36H43NO3S |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-(7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 569.804 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 7.3 |
Synonyms | (1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-6,7-dihydro-5H-[1]pyrindin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid BDBM50069350 |
Inchi Key | CKLRKPMEGUXCIX-KHBSKBJESA-N |
Inchi ID | InChI=1S/C36H43NO3S/c1-34(2)19-18-27-13-16-29(37-33(27)34)15-12-25-8-7-10-28(22-25)31(41-24-36(20-21-36)23-32(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,22,31,40H,14,17-21,23-24H2,1-4H3,(H,38,39)/b15-12+/t31-/m1/s1 |
PubChem CID | 44360640 |
ChEMBL | CHEMBL140381 |
IUPHAR | N/A |
BindingDB | 50069350 |
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 |
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IC50 | 2.0 nM | PMID9871597 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218