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 DMFold 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

NameProstaglandin D2 receptor 2
SpeciesHomo sapiens (Human)
GenePTGDR2
SynonymCD294
prostaglandin D2 receptor 2
PGD2 receptor
Gpr44
G-protein coupled receptor 44
[ Show all ]
DiseaseAsthma; Chronic obstructive pulmonary disease
Asthma
Allergy
Allergic rhinitis
Allergic asthma
[ Show all ]
Length395
Amino acid sequenceMSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
UniProtQ9Y5Y4
Protein Data Bank6d27, 6d26
GPCR-HGmod modelQ9Y5Y4
3D structure modelThis structure is from PDB ID 6d27.
BioLiPBL0428440, BL0428439
Therapeutic Target DatabaseT61722
ChEMBLCHEMBL5071
IUPHAR339
DrugBankBE0003561

Ligand

NameCHEMBL605763
Molecular formulaC25H15F3N2O2S
IUPAC name2-[2-[bis(4-fluorophenyl)methyl]-4-(3-cyano-4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
Molecular weight464.462
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50309305
2-(2-(bis(4-fluorophenyl)methyl)-4-(3-cyano-4-fluorophenyl)thiazol-5-yl)acetic acid
Inchi KeyAQQWBHSNYSMRRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H15F3N2O2S/c26-18-6-1-14(2-7-18)23(15-3-8-19(27)9-4-15)25-30-24(21(33-25)12-22(31)32)16-5-10-20(28)17(11-16)13-29/h1-11,23H,12H2,(H,31,32)
PubChem CID46230511
ChEMBLCHEMBL605763
IUPHARN/A
BindingDB50309305
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Efficacy80.0 %PMID20022749ChEMBL
IC5057.0 nMPMID20022749BindingDB,ChEMBL
IC50520.0 nMPMID20022749BindingDB,ChEMBL

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