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Ligand

NameCHEMBL507168
Molecular formulaC26H32Cl2N2O5S
IUPAC name(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroxy-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
Molecular weight555.511
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
Synonyms(2R,3S)-4-(3,4-dichlorophenylsulfonyl)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
BDBM50244438
SCHEMBL5950790
Inchi KeyAUYNVHXIPJGKEV-UBFVSLLYSA-N
Inchi IDInChI=1S/C26H32Cl2N2O5S/c27-21-10-8-19(14-22(21)28)36(34,35)16-24(31)25(32)26(33)29-23-6-4-5-18-13-17(7-9-20(18)23)15-30-11-2-1-3-12-30/h7-10,13-14,23-25,31-32H,1-6,11-12,15-16H2,(H,29,33)/t23-,24-,25-/m1/s1
PubChem CID11526891
ChEMBLCHEMBL507168
IUPHARN/A
BindingDB50244438
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15060B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
15061B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352

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