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(1) dopamine receptor
SpeciesCarassius auratus (Goldfish)
Gene
SynonymDopamine D1 receptor
DiseaseN/A for non-human GPCRs
Length363
Amino acid sequenceMAVLDLNLTTVIDSGFMESDRSVRVLTGCFLSVLILSTLLGNTLVCAAVTKFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVTEVAGFWPFGAFCDIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPRVAFVMISGAWTLSVLISFIPVQLKWHKAQPIGFLEVNASRRDLPTDNCDSSLNRTYAISSSLISFYIPVAIMIVTYTQIYRIAQKQIRRISALERAAESAQIRHDSMGSGSNMDLESSFKLSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCKRTSNGLPCISPTTFDVFVWFGWANSSLNPIIYAFNADFRRAFAILLGCQRLCPGSISMETPSLNKN
UniProtP35406
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2368
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL38757
Molecular formulaC20H25NO2S
IUPAC name(1R,10S)-15-pentyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
Molecular weight343.485
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.5
Synonyms2-Pentyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol
(5aS,11bR)-2-Pentyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol
BDBM50057838
SCHEMBL7011929
Inchi KeyXNVUFMZAHXMTCP-OXJNMPFZSA-N
Inchi IDInChI=1S/C20H25NO2S/c1-2-3-4-5-13-9-15-19(24-13)11-21-16-7-6-12-8-17(22)18(23)10-14(12)20(15)16/h8-10,16,20-23H,2-7,11H2,1H3/t16-,20+/m0/s1
PubChem CID10854877
ChEMBLCHEMBL38757
IUPHARN/A
BindingDB50057838
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50170.0 nMPMID9171869BindingDB,ChEMBL
IA80.0 %PMID9171869ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417