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

NameCHEMBL504065
Molecular formulaC32H33F3N4O5S
IUPAC namebenzyl N-[4-[(4-methylsulfanylbenzoyl)amino]-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]carbamate
Molecular weight642.694
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP5.2
SynonymsBDBM50255172
(+/-)-benzyl-4-(4-(methylthio)benzamido)-3-(2-(3-(trifluoromethyl)benzamido)acetamido)cyclohexylcarbamate
(+/-)-benzyl4-(4-(methylthio)benzamido)-3-(2-(3-(trifluoromethyl)benzamido)acetamido) cyclohexylcarbamate
Inchi KeyAHSMKZRUQWMISJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-26-15-12-24(37-31(43)44-19-20-6-3-2-4-7-20)17-27(26)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
PubChem CID44593554
ChEMBLCHEMBL504065
IUPHARN/A
BindingDB50255172
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5851C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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