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	Lysophosphatidic acid receptor 5
Species	Homo sapiens (Human)
Gene	LPAR5
Synonym	G-protein coupled receptor 92 LPAR5 LPA5 receptor LPA-5 LPA receptor 5 G protein-coupled receptor 92 GPR92 G-protein coupled receptor 93 GPR93 [ Show all ]
Disease	N/A
Length	372
Amino acid sequence	MLANSSSTNSSVLPCPDYRPTHRLHLVVYSLVLAAGLPLNALALWVFLRALRVHSVVSVYMCNLAASDLLFTLSLPVRLSYYALHHWPFPDLLCQTTGAIFQMNMYGSCIFLMLINVDRYAAIVHPLRLRHLRRPRVARLLCLGVWALILVFAVPAARVHRPSRCRYRDLEVRLCFESFSDELWKGRLLPLVLLAEALGFLLPLAAVVYSSGRVFWTLARPDATQSQRRRKTVRLLLANLVIFLLCFVPYNSTLAVYGLLRSKLVAASVPARDRVRGVLMVMVLLAGANCVLDPLVYYFSAEGFRNTLRGLGTPHRARTSATNGTRAALAQSERSAVTTDATRPDAASQGLLRPSDSHSLSSFTQCPQDSAL
UniProt	Q9H1C0
Protein Data Bank	N/A
GPCR-HGmod model	Q9H1C0
3D structure model	This predicted structure model is from GPCR-EXP Q9H1C0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5700
IUPHAR	124
DrugBank	N/A

Ligand

Name	CHEMBL3979729
Molecular formula	C29H24ClNO4
IUPAC name	4-[[[4-(2-chlorophenoxy)benzoyl]-(2-phenylethyl)amino]methyl]benzoic acid
Molecular weight	485.964
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.5
Synonyms	US9464060, 36 ZINC584598308 BDBM251700 SCHEMBL16506633
Inchi Key	MUHRSYPHUZBZJQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H24ClNO4/c30-26-8-4-5-9-27(26)35-25-16-14-23(15-17-25)28(32)31(19-18-21-6-2-1-3-7-21)20-22-10-12-24(13-11-22)29(33)34/h1-17H,18-20H2,(H,33,34)
PubChem CID	117903041
ChEMBL	CHEMBL3979729
IUPHAR	N/A
BindingDB	251700
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	24.0 nM	, None	BindingDB,ChEMBL

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