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GLASS

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

Name	Muscarinic acetylcholine receptor DM1
Species	Drosophila melanogaster (Fruit fly)
Gene	mAChR-A
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	805
Amino acid sequence	MEPVMSLALAAHGPPSILEPLFKTVTTSTTTTTTTTTSTTTTTASPAGYSPGYPGTTLLTALFENLTSTAASGLYDPYSGMYGNQTNGTIGFETKGPRYSLASMVVMGFVAAILSTVTVAGNVMVMISFKIDKQLQTISNYFLFSLAIADFAIGAISMPLFAVTTILGYWPLGPIVCDTWLALDYLASNASVLNLLIISFDRYFSVTRPLTYRAKRTTNRAAVMIGAAWGISLLLWPPWIYSWPYIEGKRTVPKDECYIQFIETNQYITFGTALAAFYFPVTIMCFLYWRIWRETKKRQKDLPNLQAGKKDSSKRSNSSDENTVVNHASGGLLAFAQVGGNDHDTWRRPRSESSPDAESVYMTNMVIDSGYHGMHSRKSSIKSTNTIKKSYTCFGSIKEWCIAWWHSGREDSDDFAYEQEEPSDLGYATPVTIETPLQSSVSRCTSMNVMRDNYSMGGSVSGVRPPSILLSDVSPTPLPRPPLASISQLQEMSAVTASTTANVNTSGNGNGAINNNNNASHNGNGAVNGNGAGNGSGIGLGTTGNATHRDSRTLPVINRINSRSVSQDSVYTILIRLPSDGASSNAANGGGGGPGAGAAASASLSMQGDCAPSIKMIHEDGPTTTAAAAPLASAAATRRPLPSRDSEFSLPLGRRMSHAQHDARLLNAKVIPKQLGKAGGGAAGGGVGGAHALMNARNAAKKKKKSQEKRQESKAAKTLSAILLSFIITWTPYNILVLIKPLTTCSDCIPTELWDFFYALCYINSTINPMCYALCNATFRRTYVRILTCKWHTRNREGMVRGVYN
UniProt	P16395
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	CHEMBL2366467
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	AF-DX 384
Molecular formula	C27H38N6O2
IUPAC name	N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Molecular weight	478.641
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.8
Synonyms	GTPL368 N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide SR-01000597571-1 (-)-5,11-Dihydro-11-[[[2-[2-[(dipropylamino)methyl]-piperidin-l-yl]ethyl]amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one AC1L3ONW BRD-A93436351-001-01-4 L003043 PDSP1_000962 [3H]AF-DX 384 AFDX-384 D0HP1O MZDYABXXPZNUCT-UHFFFAOYSA-N SCHEMBL9824222 5,11-dihydro-11-[[[2-[2-[(dipropylamino)methyl]-piperidin-l-yl]ethyl]amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one BDBM81901 HMS3267P13 N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Z3314 118290-26-9 CAS_119356 CHEMBL279453 LS-187269 PDSP1_000963 AFDX384 GTPL3264 N-(2-(2-((Dipropylamino)methyl)piperidin-1-yl)ethyl)-6-oxo-5H-benzo[e]pyrido[3,2-b][1,4]diazepine-11(6H)-carboxamide SR-01000597571 (+)-5,11-Dihydro-11-[[[2-[2-[(dipropylamino)methyl]-piperidin-l-yl]ethyl]amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one BN0056 J-003728 NSC_119356 [3H]AF DX-384 118290-27-0 AF-DX-384 CHEBI:110176 D06PVQ MolPort-003-983-506 PDSP2_000947 5,11-Dihydro-11-[[[2-[2-[(dipropylamino)methyl]-piperidin-1-yl]ethyl]amino]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one AKOS024456538 [ Show all ]
Inchi Key	MZDYABXXPZNUCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
PubChem CID	119357
ChEMBL	CHEMBL279453
IUPHAR	3264, 368
BindingDB	81901
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	4.8 nM	PMID17319687	ChEMBL
Ki	6.1 nM	PMID17319687	ChEMBL

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