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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	BCTC
Molecular formula	C20H25ClN4O
IUPAC name	N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
Molecular weight	372.897
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	MolPort-003-983-482 ZINC27109670 4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide, BCTC DA-42544 GTPL2460 N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide. AKOS024457842 BN0674 MCULE-6176078265 SCHEMBL1269620 393514-24-4 B7520 CTK8F0011 n-(4-t-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamide 4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide BCTC, >=98% (HPLC) DTXSID90432997 HY-19960 NCGC00370959-01 AZ0001-0587 CHEMBL441472 MFCD08690556 TRA0012037 4-(3-Chloro-2-pyridinyl)-N-[4-(1,1-dimethylethyl)phenyl]-1-piperazinecarboxamide BCP19629 D0P7VQ N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide BDBM50133817 FT-0696667 KS-00001DIH RT-011429 B-110 CS-5476 [ Show all ]
Inchi Key	ROGUAPYLUCHQGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PubChem CID	9929425
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50133817
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.00095 nM	PMID12721338	BindingDB

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