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Ligand

NameFasitibant
Molecular formulaC36H49Cl2N6O6S+
IUPAC name[(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium
Molecular weight764.784
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50293905
SCHEMBL2641709
(S)-4-amino-5-(4-(4-(2,4-dichloro-3-((2,4-dimethylquinolin-8-yloxy)methyl)phenylsulfonamido)tetrahydro-2H-pyran-4-carbonyl)piperazin-1-yl)-N,N,N-trimethyl-5-oxopentan-1-aminium chloride
CHEMBL218427
BDBM50411275
[ Show all ]
Inchi KeyFQVSDHOWSLEEKJ-LJAQVGFWSA-N
Inchi IDInChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1
PubChem CID11498853
ChEMBLCHEMBL218427
IUPHARN/A
BindingDB50411275, 50293905
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
85131B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
85129B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
85130B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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