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Ligand

NameCHEMBL453339
Molecular formulaC30H36N2O5S
IUPAC name(2R,3S)-2,3-dihydroxy-4-naphthalen-2-ylsulfonyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
Molecular weight536.687
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50244566
SCHEMBL5950710
(2R,3S)-2,3-dihydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
XENUKVRWXVFLTR-MPFGFTFXSA-N
Inchi KeyXENUKVRWXVFLTR-MPFGFTFXSA-N
Inchi IDInChI=1S/C30H36N2O5S/c33-28(20-38(36,37)25-13-12-22-7-2-3-8-23(22)18-25)29(34)30(35)31-27-10-6-9-24-17-21(11-14-26(24)27)19-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,27-29,33-34H,1,4-6,9-10,15-16,19-20H2,(H,31,35)/t27-,28-,29-/m1/s1
PubChem CID11663809
ChEMBLCHEMBL453339
IUPHARN/A
BindingDB50244566
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
389811B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
389812B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352

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