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 5A
SpeciesRattus norvegicus (Rat)
GeneHtr5a
Synonym5-HT5A receptor
REC17
MR22
Htr5
5-HT-5A
[ Show all ]
DiseaseN/A for non-human GPCRs
Length357
Amino acid sequenceMDLPINLTSFSLSTPSTLEPNRSLDTEALRTSQSFLSAFRVLVLTLLGFLAAATFTWNLLVLATILRVRTFHRVPHNLVASMAISDVLVAVLVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDRYWSITRHLEYTLRARKRVSNVMILLTWALSAVISLAPLLFGWGETYSELSEECQVSREPSYTVFSTVGAFYLPLCVVLFVYWKIYKAAKFRMGSRKTNSVSPIPEAVEVKDASQHPQMVFTVRHATVTFQTEGDTWREQKEQRAALMVGILIGVFVLCWFPFFVTELISPLCSWDIPALWKSIFLWLGYSNSFFNPLIYTAFNRSYSSAFKVFFSKQQ
UniProtP35364
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4655
IUPHAR10
DrugBankN/A

Ligand

NameCHEMBL341373
Molecular formulaC14H21NO
IUPAC name2-[(1S,2S)-2-(diethylaminomethyl)cyclopropyl]phenol
Molecular weight219.328
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50288776
2-((1S,2S)-2-Diethylaminomethyl-cyclopropyl)-phenol
Inchi KeyXWZXWOIUWIDZQF-YPMHNXCESA-N
Inchi IDInChI=1S/C14H21NO/c1-3-15(4-2)10-11-9-13(11)12-7-5-6-8-14(12)16/h5-8,11,13,16H,3-4,9-10H2,1-2H3/t11-,13+/m1/s1
PubChem CID44355128
ChEMBLCHEMBL341373
IUPHARN/A
BindingDB50288776
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki506.0 nM, Bioorg. Med. Chem. Lett., (1996) 6:4:415BindingDB,ChEMBL

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