Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameD(4) dopamine receptor
SpeciesRattus norvegicus (Rat)
GeneDrd4
SynonymD(2C) dopamine receptor
D4 receptor
D4R
Dopamine D4 receptor
dopamine receptor 4
DiseaseN/A for non-human GPCRs
Length387
Amino acid sequenceMGNSSATGDGGLLAGRGPESLGTGTGLGGAGAAALVGGVLLIGMVLAGNSLVCVSVASERILQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVAAPVVCGLNDVPGRDPTVCCLEDRDYVVYSSICSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPLFSDCPPPSPSLRTSPTVSSRPESDLSQSPCSPGCLLPDAALAQPPAPSSRRKRGAKITGRERKAMRVLPVVVGAFLMCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC
UniProtP30729
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3361
IUPHAR217
DrugBankN/A

Ligand

NameCHEMBL191815
Molecular formulaC27H31N3O
IUPAC nameN-[4-[(4aR)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
Molecular weight413.565
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50166019
Naphthalene-2-carboxylic acid [(R)-4-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-butyl]-amide
Inchi KeyKIVKVDKAEVGINM-RUZDIDTESA-N
Inchi IDInChI=1S/C27H31N3O/c31-27(24-12-11-21-7-1-2-9-23(21)19-24)28-15-5-6-16-29-17-18-30-25(20-29)14-13-22-8-3-4-10-26(22)30/h1-4,7-12,19,25H,5-6,13-18,20H2,(H,28,31)/t25-/m1/s1
PubChem CID11464115
ChEMBLCHEMBL191815
IUPHARN/A
BindingDB50166019
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki585.0 nMPMID15857123BindingDB,ChEMBL

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