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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

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GPCR

NameMu-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRM1
SynonymM-OR-1
MOR-1
DiseaseN/A for non-human GPCRs
Length98
Amino acid sequenceYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProtP97266
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4354
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1834250
Molecular formulaC25H29N5O5
IUPAC name(2R)-2-(4-amino-8-hydroxy-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)-N-[2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]propanamide
Molecular weight479.537
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP-0.2
SynonymsBDBM50354653
Inchi KeyACFTTXWQZSBVGL-OZJRSANCSA-N
Inchi IDInChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20?,21?/m1/s1
PubChem CID56678760
ChEMBLCHEMBL1834250
IUPHARN/A
BindingDB50354653
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.6 nMPMID21870874BindingDB
IC503.64 nMPMID21870874ChEMBL

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