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Ligand

NameCHEMBL407639
Molecular formulaC29H40N6O10S
IUPAC name2-[(2S,5S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-5-(sulfomethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Molecular weight664.731
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogP0.4
SynonymsBDBM50407576
Inchi KeyHLSVNXDLVXYMQH-WGNYYXNJSA-N
Inchi IDInChI=1S/C29H40N6O10S/c1-14(2)9-19-25(38)31-20(10-16-12-30-18-8-6-5-7-17(16)18)26(39)32-21(11-23(36)37)27(40)34-22(13-46(43,44)45)28(41)35-24(15(3)4)29(42)33-19/h5-8,12,14-15,19-22,24,30H,9-11,13H2,1-4H3,(H,31,38)(H,32,39)(H,33,42)(H,34,40)(H,35,41)(H,36,37)(H,43,44,45)/t19-,20+,21+,22-,24+/m1/s1
PubChem CID44356922
ChEMBLCHEMBL407639
IUPHARN/A
BindingDB50407576
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
118197Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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