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	CHEMBL3890077
Molecular formula	C27H27F5N4O2
IUPAC name	(3R,4S)-N-[3-cyano-5-(trifluoromethyl)phenyl]-3-[(3,3-difluoropyrrolidin-1-yl)methyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight	534.531
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.4
Synonyms	SCHEMBL15251233
Inchi Key	BUCHSOPPEQLYRP-IQGLISFBSA-N
Inchi ID	InChI=1S/C27H27F5N4O2/c1-16-5-4-6-17(2)22(16)36-14-25(18(3)23(36)37,13-35-8-7-26(28,29)15-35)24(38)34-21-10-19(12-33)9-20(11-21)27(30,31)32/h4-6,9-11,18H,7-8,13-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1
PubChem CID	89799857
ChEMBL	CHEMBL3890077
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