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 2A
SpeciesBos taurus (Bovine)
GeneHTR2A
Synonym5-HT-2
5-HT-2A
Serotonin receptor 2A
DiseaseN/A for non-human GPCRs
Length470
Amino acid sequenceMDILCEENTSLSSTTNSLMQLHADTRLYSTDFNSGEGNTSNAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSTLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADENFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDPGTRTKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNRDVIEALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGPKKNSKKDDKTTDNDCTMVALGKEHPEDAPADSSNTVNEKVSCV
UniProtQ75Z89
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3446
IUPHARN/A
DrugBankN/A

Ligand

NameAC1NJ58P
Molecular formulaC9H13NO3
IUPAC name2-hydroxy-4-[1-hydroxy-2-(methylazaniumyl)ethyl]phenolate
Molecular weight183.207
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP-0.7
Synonyms2-hydroxy-4-[1-hydroxy-2-(methylazaniumyl)ethyl]phenolate
Inchi KeyUCTWMZQNUQWSLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
PubChem CID4866774
ChEMBLCHEMBL1740
IUPHAR509
BindingDB84342
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMHartig et al., PMID1985PDSP

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