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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Mu-type opioid receptor
Species	Rattus norvegicus (Rat)
Gene	Oprm1
Synonym	Opioid receptor B opioid receptor OP3 mu receptor MOR-1 MOPr MOP M-OR-1 opioid receptor, mu 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P33535
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL270
IUPHAR	319
DrugBank	N/A

Ligand

Name	122507-47-5
Molecular formula	C30H38ClN5O7S2
IUPAC name	(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	680.232
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	0.0
Synonyms	(D-Pen(2)-pcl-phe(4)-D-pen(5))enkephalin AC1L4M1R D-Valine,L-tyrosyl-3-mercapto-D-valylglycyl-4-chloro-L-phenylalanyl-3-mercapto-, cyclic(2®5)-disulfide [D-Pen2,5, p-Cl-Phe4]-Enkephalin (D-PEN2,P-CHLORO-PHE4,D-PEN5)-ENKEPHALIN C-54324 Enkephalin, D-pen(2), D-pen(5), p-Cl-phe(4) (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid 2,5-Penicillamine-4-(4-chlorophenylalanine)-enkephalin CTK4B3138 FT-0771979 (D-Pen2,5, pCl-Phe4)enkephalin AC1Q3NI5 Dpdp(Cl)E [pCl-Phe4]-DPDPE (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid Enkephalin, pen(2,5)-4-chloro-phe(4)- (4s,7s,13s)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-4-chloro-L-phenylalanyl-3-mercapto-, cyclic (2-5)-disulfide ZINC3935152 (D-Pen2,5,P-Cl-phe4)-enkephalin BDBM50068133 DTXSID30153634 (4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-(4-chloro-benzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid 2,5-Pen-4-(4-chloro-phe)-enkephalin CHEMBL143939 Enkephalin, penicillamine(2,5)-4-chlorophenylalanine(4)- [ Show all ]
Inchi Key	VTVUYFFDQHWCTJ-WMIMKTLMSA-N
Inchi ID	InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PubChem CID	159564
ChEMBL	CHEMBL143939
IUPHAR	N/A
BindingDB	50068133
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	609.0 nM	PMID9822547	BindingDB,ChEMBL

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