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Ligand

Nameethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Molecular formulaC22H23BrN6O4S
IUPAC nameethyl 6-[5-[(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate
Molecular weight547.428
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.0
SynonymsAC1O4R5O
MLS000675308
CHEMBL1422131
MolPort-007-628-536
HMS2688E23
[ Show all ]
Inchi KeyAAKZCIHQRMMMAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23BrN6O4S/c1-3-33-17(31)7-5-4-6-16(30)19-14(24-21(32)25-19)11-34-22-26-20-18(27-28-22)13-10-12(23)8-9-15(13)29(20)2/h8-10H,3-7,11H2,1-2H3,(H2,24,25,32)
PubChem CID6411582
ChEMBLCHEMBL1422131
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
287Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
289Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
288Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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