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(2) dopamine receptor
SpeciesMus musculus (Mouse)
GeneDrd2
SynonymD2 receptor
D2(415) and D2(444)
D2A and D2B
D2R
dopamine D2 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMDPLNLSWYDDDLERQNWSRPFNGSEGKPDRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProtP61168
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3427
IUPHAR215
DrugBankN/A

Ligand

NameCHEMBL136388
Molecular formulaC21H25NO2
IUPAC name2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone
Molecular weight323.436
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms2-(1-Benzyl-piperidin-4-yl)-1-(4-hydroxymethyl-phenyl)-ethanone;0.5hydrate
BDBM50002188
SCHEMBL7382894
4'-(Hydroxymethyl)-omega-(1-benzylpiperidin-4-yl)acetophenone
CHEMBL1180649
Inchi KeyFLJUGLHPEGJBNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO2/c23-16-19-6-8-20(9-7-19)21(24)14-17-10-12-22(13-11-17)15-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2
PubChem CID10019100
ChEMBLN/A
IUPHARN/A
BindingDB50002188
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID1360026BindingDB

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