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Ligand

NameCHEMBL335128
Molecular formulaC37H45N7O7
IUPAC name2-[(2S,5R,8S,11R,14S)-5,14-bis(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular weight699.809
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP3.6
SynonymsBDBM50407599
Inchi KeyDNDOXTXLYFWJRU-WVWDVZQYSA-N
Inchi IDInChI=1S/C37H45N7O7/c1-19(2)13-27-33(47)40-28(14-21-17-38-25-11-7-5-9-23(21)25)34(48)42-30(16-31(45)46)35(49)41-29(36(50)44-32(20(3)4)37(51)43-27)15-22-18-39-26-12-8-6-10-24(22)26/h5-12,17-20,27-30,32,38-39H,13-16H2,1-4H3,(H,40,47)(H,41,49)(H,42,48)(H,43,51)(H,44,50)(H,45,46)/t27-,28+,29-,30+,32+/m1/s1
PubChem CID44357062
ChEMBLCHEMBL335128
IUPHARN/A
BindingDB50407599
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64263Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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