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

NameCHEMBL3930062
Molecular formulaC23H31N5O2
IUPAC nameN-cyclohexyl-1-[[3-(1H-pyrazole-4-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight409.534
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM243619
US9428456, 1.044
Inchi KeyBGYQAFWOGYMEIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N5O2/c29-22(26-20-6-2-1-3-7-20)18-9-11-28(12-10-18)16-17-5-4-8-21(13-17)27-23(30)19-14-24-25-15-19/h4-5,8,13-15,18,20H,1-3,6-7,9-12,16H2,(H,24,25)(H,26,29)(H,27,30)
PubChem CID129626027
ChEMBLCHEMBL3930062
IUPHARN/A
BindingDB243619
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
534003Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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