Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameD(1A) dopamine receptor
SpeciesMus musculus (Mouse)
GeneDrd1
SynonymD1 receptor
D1A
DADR
Dopamine D1 receptor
Dopamine-1A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length446
Amino acid sequenceMAPNTSTMDETGLPVERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDAEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPVECSQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVMFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKREEAGGIPKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
UniProtQ61616
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3071
IUPHARN/A
DrugBankN/A

Ligand

NameSCHEMBL14061568
Molecular formulaC21H27N3O2
IUPAC name(2R)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-methylpyridin-2-yl)oxymethyl]morpholine
Molecular weight353.466
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM186925
US9079895, 17r
Inchi KeyXEESQZOHNMFSPW-LJQANCHMSA-N
Inchi IDInChI=1S/C21H27N3O2/c1-17-6-8-22-21(14-17)26-16-19-15-23(12-13-25-19)10-11-24-9-7-18-4-2-3-5-20(18)24/h2-6,8,14,19H,7,9-13,15-16H2,1H3/t19-/m1/s1
PubChem CID71062567
ChEMBLN/A
IUPHARN/A
BindingDB186925
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMN/ABindingDB

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