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

NameMu-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprm1
Synonymopioid receptor, mu 1
opioid receptor
OP3
Mu receptor
MOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length398
Amino acid sequenceMDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProtP42866
Protein Data Bank4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4dkl.
BioLiPBL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2858
IUPHAR319
DrugBankN/A

Ligand

NameCHEMBL149795
Molecular formulaC29H36N2O2
IUPAC name3-[[(2R)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol
Molecular weight444.619
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
Synonyms3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methyl]-phenol
BDBM50084134
3-[(4-tert-Butylphenyl)[(2R)-2-(hydroxymethyl)-4-benzylpiperazino]methyl]phenol
Inchi KeyANLPBQYTVZSEEV-HSLSYKTRSA-N
Inchi IDInChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
PubChem CID10503458
ChEMBLCHEMBL149795
IUPHARN/A
BindingDB50084134
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502263.0 nMPMID10639279BindingDB,ChEMBL

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