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Ligand

NameCHEMBL1956857
Molecular formulaC36H45Cl2F3N6O8S
IUPAC name2,4-dichloro-N-[4-[4-[(2S)-2,6-diaminohexanoyl]piperazine-1-carbonyl]oxan-4-yl]-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
Molecular weight849.745
Hydrogen bond acceptor15
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyBOGSDEWWCZKTRA-YCBFMBTMSA-N
Inchi IDInChI=1S/C34H44Cl2N6O6S.C2HF3O2/c1-22-20-23(2)39-31-24(22)6-5-8-28(31)48-21-25-26(35)9-10-29(30(25)36)49(45,46)40-34(11-18-47-19-12-34)33(44)42-16-14-41(15-17-42)32(43)27(38)7-3-4-13-37;3-2(4,5)1(6)7/h5-6,8-10,20,27,40H,3-4,7,11-19,21,37-38H2,1-2H3;(H,6,7)/t27-;/m0./s1
PubChem CID57401771
ChEMBLCHEMBL1956857
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28776B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
28775B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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