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Ligand

NameCHEMBL2112220
Molecular formulaC35H42N8O6S
IUPAC nameN-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-[3-nitro-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]phenyl]sulfonylpyrrole-2-carboxamide
Molecular weight702.831
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP5.1
SynonymsBDBM50409528
Inchi KeyBGSDZPMYFKKCJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H42N8O6S/c1-40(2)20-9-21-41(3)23-19-36-34(44)31-14-8-22-42(31)50(48,49)27-17-18-30(32(24-27)43(46)47)38-39-35(45)37-33-28-12-6-4-10-25(28)15-16-26-11-5-7-13-29(26)33/h4-8,10-14,17-18,22,24,33,38H,9,15-16,19-21,23H2,1-3H3,(H,36,44)(H2,37,39,45)
PubChem CID10327403
ChEMBLCHEMBL2112220
IUPHARN/A
BindingDB50409528
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23386B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
23387B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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