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(1A) dopamine receptor
SpeciesBos taurus (Bovine)
GeneDRD1
SynonymDopamine D1 receptor
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMRTLNTSTMEGTGLVAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTGPSEGNATSLGKTINNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPMECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNVVYLIPHAVGSSEGLKKEEAVGIAKPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtQ95136
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2967
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL561123
Molecular formulaC22H28N6O2
IUPAC name3-methyl-2-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
Molecular weight408.506
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.1
Synonyms3-Methyl-2-morpholin-4-yl-7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
BDBM50295929
Inchi KeyBPXOVNRRDFBZBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N6O2/c1-25-21(29)20-19(24-22(25)28-11-13-30-14-12-28)17(15-23-20)16-26-7-9-27(10-8-26)18-5-3-2-4-6-18/h2-6,15,23H,7-14,16H2,1H3
PubChem CID45268293
ChEMBLCHEMBL561123
IUPHARN/A
BindingDB50295929
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki520.0 nMPMID19481941BindingDB,ChEMBL

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