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

Name5-hydroxytryptamine receptor 1D
SpeciesCanis lupus familiaris (Dog)
GeneHTR1D
Synonym5-HT-1D
5-HT1D
Serotonin receptor 1D
DiseaseN/A for non-human GPCRs
Length377
Amino acid sequenceMSPPNQSLEGLLQEASNRSLNATETPEAWGPETLQALKISLALLLSIITMATALSNAFVLTTIFLTRKLHTPANYLIGSLAMTDLLVSILVMPISIAYTTTRTWSFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGRAAVMIATVWVISICISIPPLFWRQAKAQEDMSDCQVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYVAARNRILNPPSLYGKRFTTAQLITGSAGSSLCSLSPSLQEERSHAAGPPLFFNHVQVKLAEGVLERKRISAARERKATKTLGIILGAFIVCWLPFFVASLVLPICRASCWLHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQRVVHVRKAS
UniProtP11614
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

Name4'-Aminopropiophenone
Molecular formulaC9H11NO
IUPAC name1-(4-aminophenyl)propan-1-one
Molecular weight149.193
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.7
SynonymsFSWXOANXOQPCFF-UHFFFAOYSA-N
NSC 3187
Para-aminopropiophenone
USAF uctl-1856
4-14-00-00139 (Beilstein Handbook Reference)
[ Show all ]
Inchi KeyFSWXOANXOQPCFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
PubChem CID6270
ChEMBLN/A
IUPHARN/A
BindingDB81782
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki34.67 nMPMID7984267BindingDB

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