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Ligand

NameCHEMBL419367
Molecular formulaC28H34F4N2O7S
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-1-[2-[propyl(4,4,4-trifluorobutylsulfonyl)amino]ethyl]pyrrolidine-3-carboxylic acid
Molecular weight618.641
Hydrogen bond acceptor13
Hydrogen bond donor1
XlogP2.5
Synonyms(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-methoxy-phenyl)-1-{2-[propyl-(4,4,4-trifluoro-butane-1-sulfonyl)-amino]-ethyl}-pyrrolidine-3-carboxylic acid
BDBM50061078
Inchi KeyBMNFTWGABWKVKN-VANUSSGQSA-N
Inchi IDInChI=1S/C28H34F4N2O7S/c1-3-10-34(42(37,38)13-4-9-28(30,31)32)12-11-33-16-20(18-5-8-23-24(15-18)41-17-40-23)25(27(35)36)26(33)19-6-7-22(39-2)21(29)14-19/h5-8,14-15,20,25-26H,3-4,9-13,16-17H2,1-2H3,(H,35,36)/t20-,25-,26+/m1/s1
PubChem CID10651488
ChEMBLCHEMBL419367
IUPHARN/A
BindingDB50061078
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27640Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
27641Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
27638Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426
27639Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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