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Ligand

NameCHEMBL2028839
Molecular formulaC36H48N8O5S
IUPAC name2-[3-[(1R,11S,14S,22S)-2,12,15,20,23-pentaoxo-22-(thiophen-2-ylmethyl)-3,13,16,21,24-pentazapentacyclo[22.8.0.03,11.04,9.026,31]dotriaconta-26,28,30-trien-14-yl]propyl]guanidine
Molecular weight704.891
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.7
SynonymsBDBM50407805
Inchi KeyCGDIWMYCJFDISA-AVRSUQBISA-N
Inchi IDInChI=1S/C36H48N8O5S/c37-36(38)40-16-5-12-26-32(46)39-15-6-14-31(45)41-27(20-25-11-7-17-50-25)34(48)43-21-24-10-2-1-8-22(24)18-30(43)35(49)44-28-13-4-3-9-23(28)19-29(44)33(47)42-26/h1-2,7-8,10-11,17,23,26-30H,3-6,9,12-16,18-21H2,(H,39,46)(H,41,45)(H,42,47)(H4,37,38,40)/t23?,26-,27-,28?,29-,30+/m0/s1
PubChem CID70696205
ChEMBLCHEMBL2028839
IUPHARN/A
BindingDB50407805
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
41212B2 bradykinin receptorQ28642BDKRB2Oryctolagus cuniculus (Rabbit)367

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