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

NameCHEMBL236931
Molecular formulaC30H30F3N3O5
IUPAC name3-[1-[carboxy-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]-1H-indole-2-carboxylic acid
Molecular weight569.581
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP2.5
SynonymsN/A
Inchi KeyACMDLUNFJYIKIT-AATRIKPKSA-N
Inchi IDInChI=1S/C30H30F3N3O5/c31-21-15-17(16-22(32)26(21)33)5-6-24(37)35-11-9-19(10-12-35)28(30(40)41)36-13-7-18(8-14-36)25-20-3-1-2-4-23(20)34-27(25)29(38)39/h1-6,15-16,18-19,28,34H,7-14H2,(H,38,39)(H,40,41)/b6-5+
PubChem CID23655875
ChEMBLCHEMBL236931
IUPHARN/A
BindingDBN/A
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
1693C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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