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

NameCHEMBL28607
Molecular formulaC19H22N4O
IUPAC name3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight322.412
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
Synonyms3-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
BDBM50075360
NNGCXJPRHBHODU-UHFFFAOYSA-N
3-[4-(4-Methoxyphenyl)piperazinomethyl]-1H-pyrrolo[2,3-b]pyridine
3-(4-(4-methoxyphenyl)piperazin-1-yl)methyl-1H-pyrrolo[2,3-b]pyridine
[ Show all ]
Inchi KeyNNGCXJPRHBHODU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4O/c1-24-17-6-4-16(5-7-17)23-11-9-22(10-12-23)14-15-13-21-19-18(15)3-2-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
PubChem CID9905249
ChEMBLCHEMBL28607
IUPHARN/A
BindingDB50075360
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