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(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

NameCHEMBL289867
Molecular formulaC19H23NO2S
IUPAC name(1S,10S)-15-butyl-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol
Molecular weight329.458
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.0
Synonyms2-Butyl-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol
(5aS,11bS)-2-Butyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol
BDBM50057845
SCHEMBL7007724
Inchi KeySDSOUSANKZZJNT-YJBOKZPZSA-N
Inchi IDInChI=1S/C19H23NO2S/c1-2-3-4-13-7-12-10-20-15-6-5-11-8-16(21)17(22)9-14(11)18(15)19(12)23-13/h7-9,15,18,20-22H,2-6,10H2,1H3/t15-,18-/m0/s1
PubChem CID10830234
ChEMBLCHEMBL289867
IUPHARN/A
BindingDB50057845
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5044.0 nMPMID9171869BindingDB,ChEMBL
IA79.0 %PMID9171869ChEMBL

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