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(1A) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD1
SynonymD1 receptor
D1A
DADR
Gpcr15
dopamine D1 receptor
[ Show all ]
DiseaseUnspecified
Hypertension
Pain
Parkinson's disease
Psychiatric disorder
[ Show all ]
Length446
Amino acid sequenceMRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProtP21728
Protein Data BankN/A
GPCR-HGmod modelP21728
3D structure modelThis predicted structure model is from GPCR-EXP P21728.
BioLiPN/A
Therapeutic Target DatabaseT22118
ChEMBLCHEMBL2056
IUPHAR214
DrugBankBE0000020

Ligand

NameSCH 23390
Molecular formulaC17H18ClNO
IUPAC name8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular weight287.787
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.0
SynonymsCAS_87075-17-0
GTPL943
2,3,4,5-Tetrahydro-8-chloro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol (R)-
95191-55-2
CHEMBL13668
[ Show all ]
Inchi KeyGOTMKOSCLKVOGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
PubChem CID5018
ChEMBLCHEMBL13668
IUPHAR943, 946
BindingDB86180
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.31 nMPMID26988801, PMID27876250ChEMBL
IC502.52 nM, NoneBindingDB,ChEMBL
IC503.1 nMPMID26988801, PMID27876250BindingDB
IC50520.0 nMPMID27232055BindingDB
IC50600.0 nMPMID23332346ChEMBL
IC50740.0 nM, NoneBindingDB,ChEMBL
Imax83.5 %PMID23332346ChEMBL
Inhibition100.0 %PMID23332346ChEMBL
Kd0.3 nMPMID2168520IUPHAR
Ki0.316228 - 39.8107 nMPMID1826762, PMID7525564IUPHAR
Ki0.35 nMPMID1826762PDSP
Ki0.8 nMPMID18562201PDSP
Ki0.8 nMPMID9686407PDSP
Ki1.2 nMPMID23332346ChEMBL
Ki1.24 nM, NoneBindingDB,ChEMBL
Ki1.69 nMPMID27232055BindingDB
Ki41.0 nMPMID1826762PDSP

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