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:

GPCR

NameSphingosine 1-phosphate receptor 2
SpeciesRattus norvegicus (Rat)
GeneS1pr2
SynonymS1P2 receptor
S1P2
S1P receptor Edg-5
S1P receptor 2
GPCR18
[ Show all ]
DiseaseN/A for non-human GPCRs
Length352
Amino acid sequenceMGGLYSEYLNPEKVQEHYNYTKETLDMQETPSRKVASAFIIILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFVANTLLSGPVTLSLTPLQWFAREGSAFITLSASVFSLLAIAIERQVAIAKVKLYGSDKSCRMLMLIGASWLISLILGGLPILGWNCLDHLEACSTVLPLYAKHYVLCVVTIFSVILLAIVALYVRIYFVVRSSHADVAGPQTLALLKTVTIVLGVFIICWLPAFSILLLDSTCPVRACPVLYKAHYFFAFATLNSLLNPVIYTWRSRDLRREVLRPLLCWRQGKGATGRRGGNPGHRLLPLRSSSSLERGLHMPTSPTFLEGNTVV
UniProtP47752
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3616360
IUPHAR276
DrugBankN/A

Ligand

NameCHEMBL3618201
Molecular formulaC31H26F2N2O6
IUPAC name4-[3-(4-fluorophenoxy)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]benzoic acid
Molecular weight560.554
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM149705
SCHEMBL14839451
US8975409, Example 9(3)
Inchi KeyPZFBUIYFAFMDBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)
PubChem CID71547555
ChEMBLCHEMBL3618201
IUPHARN/A
BindingDB149705
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.3 nM, None, PMID26384288BindingDB,ChEMBL

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