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(1B) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD5
SynonymGpcr1
DRD1L2
DRD1B
dopamine receptor 5
Dopamine D5 receptor
[ Show all ]
DiseaseSolid tumours
Schizophrenia
Length477
Amino acid sequenceMLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH
UniProtP21918
Protein Data BankN/A
GPCR-HGmod modelP21918
3D structure modelThis predicted structure model is from GPCR-EXP P21918.
BioLiPN/A
Therapeutic Target DatabaseT46828
ChEMBLCHEMBL1850
IUPHAR218
DrugBankBE0000145, BE0004889

Ligand

NameCHEMBL2420891
Molecular formulaC19H18Cl2N2S
IUPAC name1-(1-benzothiophen-3-ylmethyl)-4-(2,3-dichlorophenyl)piperazine
Molecular weight377.327
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50439450
Inchi KeyBLVKQYQCYGVTBD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18Cl2N2S/c20-16-5-3-6-17(19(16)21)23-10-8-22(9-11-23)12-14-13-24-18-7-2-1-4-15(14)18/h1-7,13H,8-12H2
PubChem CID11280344
ChEMBLCHEMBL2420891
IUPHARN/A
BindingDB50439450
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID23920439ChEMBL

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