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
SpeciesHomo sapiens (Human)
GeneDRD1
SynonymD1 receptor
D1A
DADR
Gpcr15
dopamine D1 receptor
[ Show all ]
DiseaseUnspecified
Hypertension
Pain
Parkinson's disease
Psychiatric disorder
[ Show all ]
Length446
Amino acid sequenceMRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtP21728
Protein Data BankN/A
GPCR-HGmod modelP21728
3D structure modelThis predicted structure model is from GPCR-EXP P21728.
BioLiPN/A
Therapeutic Target DatabaseT22118
ChEMBLCHEMBL2056
IUPHAR214
DrugBankBE0000020

Ligand

NameCHEMBL3797876
Molecular formulaC17H21NO5
IUPAC name4-[(1R)-1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]benzene-1,2-diol
Molecular weight319.357
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50167064
Inchi KeyAFWAVLNIGSUCHI-HNNXBMFYSA-N
Inchi IDInChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1
PubChem CID127045855
ChEMBLCHEMBL3797876
IUPHARN/A
BindingDB50167064
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki890.0 nMPMID27132867BindingDB,ChEMBL

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