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I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

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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

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Ligand

NameCHEMBL2163572
Molecular formulaC29H38N4O3
IUPAC nameN-(1-adamantyl)-2-ethyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
Molecular weight490.648
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsCHEMBL2219876
BDBM50395149
Inchi KeyADTNRWZCOMTXFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38N4O3/c1-3-21-17-36-27-24(32-8-6-31(2)7-9-32)5-4-22-25(27)33(21)16-23(26(22)34)28(35)30-29-13-18-10-19(14-29)12-20(11-18)15-29/h4-5,16,18-21H,3,6-15,17H2,1-2H3,(H,30,35)
PubChem CID60194939
ChEMBLN/A
IUPHARN/A
BindingDB50395149
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
3073Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
3074Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
3072Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
459250Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

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