Zhang Lab

National University of Singapore

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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Chemokine-like receptor 1
Species	Homo sapiens (Human)
Gene	CMKLR1
Synonym	tazarotene induced gene 2 receptor RVER1 resolvin E1 receptor Gpcr27 G-protein coupled receptor DEZ G-protein coupled receptor ChemR23 CMKLR1 chemokine receptor-like 1 Chemerin1 chemerin receptor 1 TIG2 receptor [ Show all ]
Disease	N/A
Length	373
Amino acid sequence	MRMEDEDYNTSISYGDEYPDYLDSIVVLEDLSPLEARVTRIFLVVVYSIVCFLGILGNGLVIIIATFKMKKTVNMVWFLNLAVADFLFNVFLPIHITYAAMDYHWVFGTAMCKISNFLLIHNMFTSVFLLTIISSDRCISVLLPVWSQNHRSVRLAYMACMVIWVLAFFLSSPSLVFRDTANLHGKISCFNNFSLSTPGSSSWPTHSQMDPVGYSRHMVVTVTRFLCGFLVPVLIITACYLTIVCKLQRNRLAKTKKPFKIIVTIIITFFLCWCPYHTLNLLELHHTAMPGSVFSLGLPLATALAIANSCMNPILYVFMGQDFKKFKVALFSRLVNALSEDTGHSSYPSHRSFTKMSSMNERTSMNERETGML
UniProt	Q99788
Protein Data Bank	N/A
GPCR-HGmod model	Q99788
3D structure model	This predicted structure model is from GPCR-EXP Q99788.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3540
IUPHAR	79
DrugBank	N/A

Ligand

Name	CHEMBL3952934
Molecular formula	C24H24F6N2O3
IUPAC name	N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-(3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
Molecular weight	502.457
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	4.2
Synonyms	SCHEMBL12728331
Inchi Key	ILJGNJDTCYTTFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24F6N2O3/c1-14-5-3-6-15(2)20(14)32-13-22(7-4-8-33,12-19(32)34)21(35)31-18-10-16(23(25,26)27)9-17(11-18)24(28,29)30/h3,5-6,9-11,33H,4,7-8,12-13H2,1-2H3,(H,31,35)
PubChem CID	51035111
ChEMBL	CHEMBL3952934
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	>30.0 nM	None	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417