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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	CHEMBL148588
Molecular formula	C28H39N9O6
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(3-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
Molecular weight	597.677
Hydrogen bond acceptor	8
Hydrogen bond donor	9
XlogP	-0.3
Synonyms	BDBM50120875 2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phenyl)-propionylamino]-pentanoylamino}-3-phenyl-propionylamino)-propionic acid
Inchi Key	DVUKUEIZDQXDFH-KPQYALRZSA-N
Inchi ID	InChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1
PubChem CID	44365001
ChEMBL	CHEMBL148588
IUPHAR	N/A
BindingDB	50120875
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
IC50	20.8 nM	PMID12408719	BindingDB,ChEMBL
Relative potency	0.56 M	PMID12408719	ChEMBL

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