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Ligand

NameCHEMBL342615
Molecular formulaC30H42N6O8S
IUPAC name[(3R,6S,9R,12S,15R)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]methanesulfonic acid
Molecular weight646.76
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP1.6
SynonymsBDBM50029351
[(5R,8S,11R,14S,16aR)-8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-methanesulfonic acid
Inchi KeyBDGDGFUNKMWECN-MQZWXTIWSA-N
Inchi IDInChI=1S/C30H42N6O8S/c1-16(2)12-21-26(37)32-22(13-18-14-31-20-9-6-5-8-19(18)20)27(38)34-23(15-45(42,43)44)30(41)36-11-7-10-24(36)28(39)35-25(17(3)4)29(40)33-21/h5-6,8-9,14,16-17,21-25,31H,7,10-13,15H2,1-4H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,42,43,44)/t21-,22+,23+,24-,25+/m1/s1
PubChem CID44357212
ChEMBLCHEMBL342615
IUPHARN/A
BindingDB50029351
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20893Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
20896Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
20894Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427
20895Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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