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Ligand

NameSafotibant
Molecular formulaC25H34N4O5S
IUPAC nameN-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
Molecular weight502.63
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.6
SynonymsUNII-02HU8HWP7U
02HU8HWP7U
633698-99-4
CHEMBL1254771
FOV-2304
[ Show all ]
Inchi KeyAMTQCENHQIDBHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
PubChem CID11953367
ChEMBLCHEMBL1254771
IUPHARN/A
BindingDB50326708
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9244B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
9245B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
9246B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352
9247B1 bradykinin receptorQ61125Bdkrb1Mus musculus (Mouse)334

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