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Ligand

NameCHEMBL133257
Molecular formulaC33H44N6O7
IUPAC name2-[(3S,6S,9R,12S,15R)-12-cyclopentyl-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight636.75
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.7
SynonymsBDBM50029354
[(5S,8S,11R,14S,16aR)-14-Cyclopentyl-8-(1H-indol-3-ylmethyl)-11-isobutyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid
Inchi KeyBVAWPBTZOQZBSS-YTZVEHKTSA-N
Inchi IDInChI=1S/C33H44N6O7/c1-18(2)14-23-29(42)35-24(15-20-17-34-22-11-6-5-10-21(20)22)30(43)37-25(16-27(40)41)33(46)39-13-7-12-26(39)31(44)38-28(32(45)36-23)19-8-3-4-9-19/h5-6,10-11,17-19,23-26,28,34H,3-4,7-9,12-16H2,1-2H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t23-,24+,25+,26-,28+/m1/s1
PubChem CID44357132
ChEMBLCHEMBL133257
IUPHARN/A
BindingDB50029354
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
33549Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
33550Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
33551Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427
33552Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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