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Ligand

NameCHEMBL307324
Molecular formulaC32H44N6O7
IUPAC name2-[(3S,6R,9S,12S,15S)-6-(1H-indol-3-ylmethyl)-10-methyl-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]acetic acid
Molecular weight624.739
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.4
SynonymsBDBM50000739
[8-(1H-Indol-3-ylmethyl)-11-isobutyl-14-isopropyl-12-methyl-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid
Inchi KeyDAFCCKSWJXSKCS-HOIWYFOJSA-N
Inchi IDInChI=1S/C32H44N6O7/c1-17(2)13-25-30(43)34-22(14-19-16-33-21-10-7-6-9-20(19)21)28(41)35-23(15-26(39)40)31(44)38-12-8-11-24(38)29(42)36-27(18(3)4)32(45)37(25)5/h6-7,9-10,16-18,22-25,27,33H,8,11-15H2,1-5H3,(H,34,43)(H,35,41)(H,36,42)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
PubChem CID44308287
ChEMBLCHEMBL307324
IUPHARN/A
BindingDB50000739
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54952Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
54953Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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