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

NameD(2) dopamine receptor
SpeciesRattus norvegicus (Rat)
GeneDrd2
SynonymD2 receptor
D2(415) and D2(444)
D2A and D2B
D2R
Dopamine D2 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProtP61169
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL339
IUPHAR215
DrugBankN/A

Ligand

NameLevosulpiride
Molecular formulaC15H23N3O4S
IUPAC nameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
Molecular weight341.426
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.6
SynonymsHMS3266P14
Levogastrol
(-)-Sulpiride
Levosulpiride [INN]
(S)-N-[(1-Ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
[ Show all ]
Inchi KeyBGRJTUBHPOOWDU-NSHDSACASA-N
Inchi IDInChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
PubChem CID688272
ChEMBLCHEMBL267044
IUPHAR958
BindingDB81774
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50170.0 nMPMID1535660BindingDB,ChEMBL
IC50210.0 nMPMID1969484BindingDB,ChEMBL
IC50233.0 nMPMID1535660BindingDB,ChEMBL
Ki<10000.0 nMPMID1356154BindingDB
Ki4.8 nMPMID1840645BindingDB
Ki6.9 nMPMID1969484BindingDB,ChEMBL
Ki7.9 nMPMID6655559BindingDB
Ki9.2 nMPMID1840645BindingDB
Ki10.0 nMPMID6387355BindingDB
Ki16.0 nMPMID6655559BindingDB
Ki20.6 nMPMID1346653ChEMBL
Ki21.0 nMPMID1346653BindingDB
Ki29.0 nMPMID1825115BindingDB,ChEMBL
Ki34.0 nMPMID2415793BindingDB
Ki39.0 nMPMID1535660, PMID2889830BindingDB,ChEMBL
Ki7342.0 nMPMID9021894BindingDB
Ratio7.0 -PMID2889830ChEMBL

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