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Ligand

NameAC1NB7KM
Molecular formulaC18H21N3O6S2
IUPAC nameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
Molecular weight439.501
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP0.4
SynonymsMLS000776215
CHEMBL1360781
MolPort-004-254-695
HMS2747O13
ZINC9580529
[ Show all ]
Inchi KeyAYCCTTRGRSAARV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N3O6S2/c1-26-16-6-5-14(29(24,25)20-8-10-27-11-9-20)12-15(16)19-17(22)13-28-18-4-2-3-7-21(18)23/h2-7,12H,8-11,13H2,1H3,(H,19,22)
PubChem CID4438847
ChEMBLCHEMBL1360781
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17318Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
17320Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
17319Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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