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

Name5-hydroxytryptamine receptor 4
SpeciesHomo sapiens (Human)
GeneHTR4
Synonym5-HT-4
5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled
5-HT4 receptor
5-HT4
serotonin receptor 4
DiseaseN/A
Length388
Amino acid sequenceMDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProtQ13639
Protein Data BankN/A
GPCR-HGmod modelQ13639
3D structure modelThis predicted structure model is from GPCR-EXP Q13639.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1875
IUPHAR9
DrugBankBE0000084

Ligand

NameSDZ-205557
Molecular formulaC14H21ClN2O3
IUPAC name2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight300.783
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsDTXSID90160102
NCGC00015916-03
Sdz 205,557
2-diethylaminoethyl 4-amino-5-chloro-2-methoxybenzoate
AC1Q3LU5
[ Show all ]
Inchi KeyFFNWMBDISAYHDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
PubChem CID5191
ChEMBLCHEMBL287045
IUPHAR258
BindingDB50056401
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6.3 nMPMID8867105PDSP,BindingDB
Ki6.31 nMPMID19261477ChEMBL
pKb7.3 -Bioorg. Med. Chem. Lett., (1994) 4:20:2477ChEMBL

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