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(2) dopamine receptor
SpeciesCanis lupus familiaris (Dog)
GeneDRD2
SynonymDopamine D2 receptor
DiseaseN/A for non-human GPCRs
Length443
Amino acid sequenceMDPLNLSWYDDDLESQNWSRPFNGSEGKPGKPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTERSSRAFRANLKAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTADSPAKPEKNGHAKDHPKIAKIFEIQSMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCECNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProtQ9GJU1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2703
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL290069
Molecular formulaC16H26ClN3O3
IUPAC name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-hydroxypropoxy)benzamide
Molecular weight343.852
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.4
SynonymsR-4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-hydroxy-propoxy)-benzamide
4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-hydroxy-propoxy)-benzamide
S-4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-(2-hydroxy-propoxy)-benzamide
BDBM50023813
GATCOSFCYSJURA-UHFFFAOYSA-N
[ Show all ]
Inchi KeyGATCOSFCYSJURA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9,11,21H,4-7,10,18H2,1-3H3,(H,19,22)
PubChem CID14116908
ChEMBLCHEMBL290069
IUPHARN/A
BindingDB50023813
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED50<3.0 mg.kg-1PMID3397992ChEMBL

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