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Name | Extracellular calcium-sensing receptor |
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Species | Homo sapiens (Human) |
Gene | CASR |
Synonym | hCasR {ECO:0000303|PubMed:27386547} GPRC2A extracellular calcium-sensing receptor Parathyroid cell calcium-sensing receptor 1 {ECO:0000303|PubMed:8698326} PCaR1 {ECO:0000303|PubMed:8698326} [ Show all ] |
Disease | Osteoporosis Cerebrovascular ischaemia Cardiovascular disease; Kidney disease Secondary hyperparathyroidism Myelodysplastic syndrome [ Show all ] |
Length | 1078 |
Amino acid sequence | MAFYSCCWVLLALTWHTSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFLRGHEESGDRFSNSSTAFRPLCTGDENISSVETPYIDYTHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCLAGTRKGIIEGEPTCCFECVECPDGEYSDETDASACNKCPDDFWSNENHTSCIAKEIEFLSWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQIVICVIWLYTAPPSSYRNQELEDEIIFITCHEGSLMALGFLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKIYIILFKPSRNTIEEVRCSTAAHAFKVAARATLRRSNVSRKRSSSLGGSTGSTPSSSISSKSNSEDPFPQPERQKQQQPLALTQQEQQQQPLTLPQQQRSQQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSTHQNSLEAQKSSDTLTRHEPLLPLQCGETDLDLTVQETGLQGPVGGDQRPEVEDPEELSPALVVSSSQSFVISGGGSTVTENVVNS |
UniProt | P41180 |
Protein Data Bank | 5k5t, 5k5s, 5fbk, 5fbh |
GPCR-HGmod model | N/A |
3D structure model | This structure is from PDB ID 5k5t. |
BioLiP | BL0353424,BL0353430, BL0353434, BL0353425,BL0353426,BL0353427,, BL0349612,BL0349615, BL0349611,BL0349614, BL0349610,BL0349613, BL0349606,BL0349609, BL0349605,BL0349608, BL0349604,BL0349607 |
Therapeutic Target Database | T92076 |
ChEMBL | CHEMBL1878 |
IUPHAR | 54 |
DrugBank | BE0000509 |
Name | Ronacaleret |
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Molecular formula | C25H31F2NO4 |
IUPAC name | 3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid |
Molecular weight | 447.523 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 1.7 |
Synonyms | 3-[3-[[(2R)-3-[[2-(2,3-Dihydro-1H-indene-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropyl]oxy]-4,5-difluorophenyl]propionic acid D07XPT SB-751689 DIH95YP7J3 UNII-DIH95YP7J3 [ Show all ] |
Inchi Key | FQJISUPNMFRIFZ-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1 |
PubChem CID | 10345214 |
ChEMBL | CHEMBL1198855 |
IUPHAR | 9473 |
BindingDB | 50346036 |
DrugBank | DB05255 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
IC50 | 146.0 nM | PMID19442519 | BindingDB,ChEMBL |
IC50 | 158.489 - 316.228 nM | PMID19442519 | IUPHAR |
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