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Ligand

NameCHEMBL2304014
Molecular formulaC31H39N7O7
IUPAC name2-[(3R,6S,9R,12S,15S)-6-[(2-cyano-1H-indol-3-yl)methyl]-2,5,8,11,14-pentaoxo-9,12-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight621.695
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP1.9
SynonymsBDBM50422140
Inchi KeyBFPMHXBUFKGOAP-CLOLZIAHSA-N
Inchi IDInChI=1S/C31H39N7O7/c1-15(2)25-29(43)34-20(12-18-17-8-5-6-9-19(17)33-22(18)14-32)27(41)35-21(13-24(39)40)31(45)38-11-7-10-23(38)28(42)36-26(16(3)4)30(44)37-25/h5-6,8-9,15-16,20-21,23,25-26,33H,7,10-13H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,37,44)(H,39,40)/t20-,21+,23-,25+,26-/m0/s1
PubChem CID71719081
ChEMBLCHEMBL2304014
IUPHARN/A
BindingDB50422140
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
22516Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
22515Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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