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Ligand

NameCHEMBL2304012
Molecular formulaC32H41BrN6O7
IUPAC name2-[(3R,6S,9R,12S,15S)-6-[(2-bromo-1H-indol-3-yl)methyl]-12-cyclopentyl-2,5,8,11,14-pentaoxo-9-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight701.619
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP3.3
SynonymsBDBM50422144
Inchi KeyHDYLJSQDZSOERS-HQLPGYIISA-N
Inchi IDInChI=1S/C32H41BrN6O7/c1-16(2)25-30(44)35-21(14-19-18-10-5-6-11-20(18)34-27(19)33)28(42)36-22(15-24(40)41)32(46)39-13-7-12-23(39)29(43)38-26(31(45)37-25)17-8-3-4-9-17/h5-6,10-11,16-17,21-23,25-26,34H,3-4,7-9,12-15H2,1-2H3,(H,35,44)(H,36,42)(H,37,45)(H,38,43)(H,40,41)/t21-,22+,23-,25+,26-/m0/s1
PubChem CID71716642
ChEMBLCHEMBL2304012
IUPHARN/A
BindingDB50422144
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
112460Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
112461Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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