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Ligand

NameAC1MTPJP
Molecular formulaC32H35N3O6S2
IUPAC nameethyl 2-[2-[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Molecular weight621.767
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.1
SynonymsMCULE-2207475867
AKOS022021220
ethyl 2-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
F0554-1016
MolPort-003-025-216
[ Show all ]
Inchi KeyABOQNHQAUAQISW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35N3O6S2/c1-5-41-32(38)28-22-10-8-12-26(22)43-31(28)34-29(36)19(2)42-27-18-35(23-11-7-6-9-21(23)27)16-15-33-30(37)20-13-14-24(39-3)25(17-20)40-4/h6-7,9,11,13-14,17-19H,5,8,10,12,15-16H2,1-4H3,(H,33,37)(H,34,36)
PubChem CID3653523
ChEMBLCHEMBL1370487
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
463077Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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