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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameSMR000117962
Molecular formulaC24H25N5O4S
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2,5-thiadiazole-3-carboxamide
Molecular weight479.555
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsAC1MK95Z
ASN 05304140
BDBM42417
CHEMBL1609697
cid_3200707
[ Show all ]
Inchi KeyBGSVSADZEMUBIT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N5O4S/c30-23(27-18-4-2-1-3-5-18)22(17-8-10-25-11-9-17)29(24(31)19-13-26-34-28-19)14-16-6-7-20-21(12-16)33-15-32-20/h6-13,18,22H,1-5,14-15H2,(H,27,30)
PubChem CID3200707
ChEMBLCHEMBL1609697
IUPHARN/A
BindingDB42417
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23393Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
23394Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
23395Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
23392Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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