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

NameSMR000354270
Molecular formulaC30H34N4O2
IUPAC name1-N,3-N-dicyclohexyl-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
Molecular weight482.628
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.1
SynonymsAC1NNLY6
MolPort-004-002-302
CHEMBL1533238
1-N,3-N-dicyclohexyl-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
MLS001017976
[ Show all ]
Inchi KeyGFMOZPMHGVTGCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N4O2/c35-29(33(25-14-3-1-4-15-25)27-18-7-9-20-31-27)23-12-11-13-24(22-23)30(36)34(26-16-5-2-6-17-26)28-19-8-10-21-32-28/h7-13,18-22,25-26H,1-6,14-17H2
PubChem CID5047011
ChEMBLCHEMBL1533238
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
951805-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
95179Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
95178Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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