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

NameProbable G-protein coupled receptor 174
SpeciesHomo sapiens (Human)
GeneGPR174
SynonymFKSG79
GPR174
DiseaseN/A
Length333
Amino acid sequenceMPANYTCTRPDGDNTDFRYFIYAVTYTVILVPGLIGNILALWVFYGYMKETKRAVIFMINLAIADLLQVLSLPLRIFYYLNHDWPFGPGLCMFCFYLKYVNMYASIYFLVCISVRRFWFLMYPFRFHDCKQKYDLYISIAGWLIICLACVLFPLLRTSDDTSGNRTKCFVDLPTRNVNLAQSVVMMTIGELIGFVTPLLIVLYCTWKTVLSLQDKYPMAQDLGEKQKALKMILTCAGVFLICFAPYHFSFPLDFLVKSNEIKSCLARRVILIFHSVALCLASLNSCLDPVIYYFSTNEFRRRLSRQDLHDSIQLHAKSFVSNHTASTMTPELC
UniProtQ9BXC1
Protein Data BankN/A
GPCR-HGmod modelQ9BXC1
3D structure modelThis predicted structure model is from GPCR-EXP Q9BXC1.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3562167
IUPHAR145
DrugBankN/A

Ligand

NameCHEMBL3577171
Molecular formulaC26H44NO10P
IUPAC name(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[3-(2-undecoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
Molecular weight561.609
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50096359
Inchi KeyUGPFSBZYXQNTFH-PKTZIBPZSA-N
Inchi IDInChI=1S/C26H44NO10P/c1-2-3-4-5-6-7-8-9-12-17-34-24-14-11-10-13-21(24)15-16-25(29)35-18-22(28)19-36-38(32,33)37-20-23(27)26(30)31/h10-11,13-14,22-23,28H,2-9,12,15-20,27H2,1H3,(H,30,31)(H,32,33)/t22-,23+/m1/s1
PubChem CID122177517
ChEMBLCHEMBL3577171
IUPHARN/A
BindingDB50096359
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5043.65 nMPMID25970039ChEMBL
EC5044.0 nMPMID25970039BindingDB,ChEMBL

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