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Ligand

NameCHEMBL2028836
Molecular formulaC35H46N8O5S
IUPAC name2-[3-[(1R,11S,14S,20S)-16-methyl-2,12,15,18,21-pentaoxo-20-(thiophen-2-ylmethyl)-3,13,16,19,22-pentazapentacyclo[20.8.0.03,11.04,9.024,29]triaconta-24,26,28-trien-14-yl]propyl]guanidine
Molecular weight690.864
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50407814
Inchi KeyWSZUTSURXSTKCG-LNLYFYMVSA-N
Inchi IDInChI=1S/C35H46N8O5S/c1-41-20-30(44)39-26(18-24-11-7-15-49-24)33(47)42-19-23-10-3-2-8-21(23)16-29(42)34(48)43-27-13-5-4-9-22(27)17-28(43)31(45)40-25(32(41)46)12-6-14-38-35(36)37/h2-3,7-8,10-11,15,22,25-29H,4-6,9,12-14,16-20H2,1H3,(H,39,44)(H,40,45)(H4,36,37,38)/t22?,25-,26-,27?,28-,29+/m0/s1
PubChem CID70696204
ChEMBLCHEMBL2028836
IUPHARN/A
BindingDB50407814
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
381704B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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