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Ligand

NameCHEMBL221998
Molecular formulaC24H20Cl2N4O3
IUPAC namemethyl 2-chloro-6-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]ethyl]phenyl]benzoate
Molecular weight483.349
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50157513
3-chloro-4''-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester
Inchi KeyALKZGOAMUXQFJR-CQSZACIVSA-N
Inchi IDInChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID11386138
ChEMBLCHEMBL221998
IUPHARN/A
BindingDB50157513
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8355B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352
8356B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
8357B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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