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
SpeciesRattus norvegicus (Rat)
GeneHtr4
Synonym5-HT-4
5-HT4
5-HT4 receptor
5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled
serotonin receptor 4
DiseaseN/A for non-human GPCRs
Length406
Amino acid sequenceMDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS
UniProtQ62758
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4317
IUPHAR9
DrugBankN/A

Ligand

NameCHEMBL57695
Molecular formulaC26H33N5O3
IUPAC namebenzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate
Molecular weight463.582
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsPDSP1_000068
PDSP2_000068
BDBM85225
N-(2-(4-((Benzyloxycarbonyl)amino)-1-piperidinyl)-ethyl)-1-isopropylindazole-3-carboxamide Oxalate
SCHEMBL7387902
Inchi KeyFEDKTGOMGVYEHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N5O3/c1-19(2)31-23-11-7-6-10-22(23)24(29-31)25(32)27-14-17-30-15-12-21(13-16-30)28-26(33)34-18-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,27,32)(H,28,33)
PubChem CID11798310
ChEMBLCHEMBL57695
IUPHARN/A
BindingDB85225
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Relaxation2.8 %PMID9599243ChEMBL
Relaxation21.0 %PMID9599243ChEMBL

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