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 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

NameCHEMBL2435853
Molecular formulaC33H37ClN4O5
IUPAC name4-[5-[[4-[(5R)-5-(3-chlorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methylpyridin-2-yl]oxybenzoic acid
Molecular weight605.132
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50441719
SCHEMBL5575383
4-[[6-Methyl-5-[[4-[(5R)-2-oxo-5-(3-chlorophenyl)-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid
Inchi KeyUFZMURFKAOEOKB-PMERELPUSA-N
Inchi IDInChI=1S/C33H37ClN4O5/c1-22-25(7-10-31(35-22)43-29-8-5-23(6-9-29)32(39)40)20-36-15-11-28(12-16-36)38-30(24-3-2-4-26(34)19-24)21-37(33(38)41)27-13-17-42-18-14-27/h2-10,19,27-28,30H,11-18,20-21H2,1H3,(H,39,40)/t30-/m0/s1
PubChem CID58834906
ChEMBLCHEMBL2435853
IUPHARN/A
BindingDB50441719
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
335999C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
336001C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
336005C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
336003C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
336004C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378
336000C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
336002C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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