Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameD(3) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD3
Synonymdopaminergic receptor D3
D3R
D3 receptor
dopamine D3 receptor
DiseaseUnspecified
Emesis; Gastric motility disorder
Female sexual dysfunction
Male sexual disorders
Psychotic disorders
[ Show all ]
Length400
Amino acid sequenceMASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProtP35462
Protein Data Bank3pbl
GPCR-HGmod modelP35462
3D structure modelThis structure is from PDB ID 3pbl.
BioLiPBL0191566, BL0191567
Therapeutic Target DatabaseT02551
ChEMBLCHEMBL234
IUPHAR216
DrugBankBE0000581

Ligand

Namecinnarizine
Molecular formulaC26H28N2
IUPAC name1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine
Molecular weight368.524
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.8
SynonymsStugeron
298-57-7
Dimitronal
Stutgin
Dimitron
[ Show all ]
Inchi KeyDERZBLKQOCDDDZ-JLHYYAGUSA-N
Inchi IDInChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
PubChem CID1547484
ChEMBLCHEMBL43064
IUPHARN/A
BindingDB50017657
DrugBankDB00568

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50252.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki86.0 nMDrugMatrix in vitro pharmacology dataChEMBL

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