Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

You can:

Ligand

NameCHEMBL2316269
Molecular formulaC25H36N4O2
IUPAC nameN-(1-adamantyl)-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight424.589
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50426098
Inchi KeyJGBRLAUJLHTDKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H36N4O2/c1-4-6-7-8-29-15-19(22(30)21-20(5-2)27-28(3)24(21)29)23(31)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h15-18H,4-14H2,1-3H3,(H,26,31)
PubChem CID71562902
ChEMBLCHEMBL2316269
IUPHARN/A
BindingDB50426098
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
150123Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
150124Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
150121Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
150122Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218