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(3) dopamine receptor
SpeciesRattus norvegicus (Rat)
GeneDrd3
SynonymD3 receptor
D3R
Dopamine D3 receptor
dopaminergic receptor D3
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMAPLSQISTHLNSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYIVLRQRQRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKQYPQKCQDPLLSHLQPPSPGQTHGGLKRYYSICQDTALRHPSLEGGAGMSPVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLRLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNVEFRKAFLKILSC
UniProtP19020
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3138
IUPHAR216
DrugBankN/A

Ligand

NameCHEMBL468833
Molecular formulaC22H27Cl2N5S
IUPAC name6-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-6-N-prop-2-ynyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Molecular weight464.453
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsD-220
D00QMQ
N6-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)-N6-(prop-2-ynyl)-4,5,6,7-tetrahydrobenzo[d]thiaxole-2,6-diamine
BDBM50261303
Inchi KeyAWFHSDHVMOYPMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27Cl2N5S/c1-2-8-28(16-6-7-18-20(15-16)30-22(25)26-18)12-9-27-10-13-29(14-11-27)19-5-3-4-17(23)21(19)24/h1,3-5,16H,6-15H2,(H2,25,26)
PubChem CID44577152
ChEMBLCHEMBL468833
IUPHARN/A
BindingDB50261303
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.1 nMPMID18410082BindingDB,ChEMBL

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