Zhang Lab

University of Michigan

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

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Mu-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprm1
Synonym	opioid receptor, mu 1 opioid receptor OP3 Mu receptor MOR-1 MOPr MOP M-OR-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P42866
Protein Data Bank	4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4dkl.
BioLiP	BL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2858
IUPHAR	319
DrugBank	N/A

Ligand

Name	CHEMBL113995
Molecular formula	C25H31N5O7
IUPAC name	2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
Molecular weight	513.551
Hydrogen bond acceptor	8
Hydrogen bond donor	7
XlogP	-2.8
Synonyms	[(S)-2-(2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-phenyl-propionylamino]-acetic acid BDBM50037492
Inchi Key	ACFMXHBRDFRELI-YSSFQJQWSA-N
Inchi ID	InChI=1S/C25H31N5O7/c1-15(29-24(36)19(26)11-17-7-9-18(31)10-8-17)23(35)27-13-21(32)30-20(25(37)28-14-22(33)34)12-16-5-3-2-4-6-16/h2-10,15,19-20,31H,11-14,26H2,1H3,(H,27,35)(H,28,37)(H,29,36)(H,30,32)(H,33,34)/t15-,19-,20-/m0/s1
PubChem CID	44342728
ChEMBL	CHEMBL113995
IUPHAR	N/A
BindingDB	50037492
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.46 nM	PMID7932569	BindingDB,ChEMBL

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