Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

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

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL3923474
Molecular formulaC30H41N5O2
IUPAC nameN-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
Molecular weight503.691
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243666
US9428456, 1.188
Inchi KeyCRVQMWXEIODKSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H41N5O2/c1-22(34-18-14-23(15-19-34)29(36)32-25-9-3-2-4-10-25)24-8-7-11-26(20-24)33-30(37)28-13-12-27(21-31-28)35-16-5-6-17-35/h7-8,11-13,20-23,25H,2-6,9-10,14-19H2,1H3,(H,32,36)(H,33,37)
PubChem CID129626061
ChEMBLCHEMBL3923474
IUPHARN/A
BindingDB243666
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537223Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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