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

NameD(1B) dopamine receptor
SpeciesRattus norvegicus (Rat)
GeneDrd5
SynonymDRD1L2
DRD1B
dopamine receptor 5
Dopamine D5 receptor
D5 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length475
Amino acid sequenceMLPPGRNRTAQPARLGLQRQLAQVDAPAGSATPLGPAQVVTAGLLTLLIVWTLLGNVLVCAAIVRSRHLRAKMTNIFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGTFCDIWVAFDIMCSTASILNLCIISVDRYWAISRPFRYERKMTQRVALVMVGLAWTLSILISFIPVQLNWHRDKAGSQGQEGLLSNGTPWEEGWELEGRTENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSRGAYEPDPSLRASIKKETKVFKTLSMIMGVFVCCWLPFFILNCMVPFCSSGDAEGPKTGFPCVSETTFDIFVWFGWANSSLNPIIYAFNADFRKVFAQLLGCSHFCFRTPVQTVNISNELISYNQDTVFHKEIATAYVHMIPNAVSSGDREVGEEEEEGPFDHMSQISPTTPDGDLAAESVWELDCEEEVSLGKISPLTPNCFDKTA
UniProtP25115
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2281
IUPHARN/A
DrugBankN/A

Ligand

Name158985-00-3
Molecular formulaC18H19ClN4
IUPAC name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight326.828
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsTocris-1002
3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine
API0003103
CCG-204875
FT-0689275
[ Show all ]
Inchi KeyOGJGQVFWEPNYSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
PubChem CID5311200
ChEMBLCHEMBL267014
IUPHAR3303
BindingDB85093
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID11378358BindingDB,ChEMBL

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