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GLASS

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

Name	Glucagon-like peptide 1 receptor
Species	Homo sapiens (Human)
Gene	GLP1R
Synonym	glucagon-like peptide 1 receptor GLP-1R GLP-1-R GLP-1 receptor
Disease	Type 1/2 diabetes Type 1 diabetes Obesity Non-insulin dependent diabetes Non-alcoholic steatohepatitis Irritable bowel syndrome; Dyspepsia Unspecified Diabetes Brain injury Type 2 diabetes [ Show all ]
Length	463
Amino acid sequence	MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProt	P43220
Protein Data Bank	5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv
GPCR-HGmod model	P43220
3D structure model	This structure is from PDB ID 5vex.
BioLiP	BL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966
Therapeutic Target Database	T36075
ChEMBL	CHEMBL1784
IUPHAR	249
DrugBank	BE0000857

Ligand

Name	4-phenyl-3-buten-2-one thiosemicarbazone
Molecular formula	C11H13N3S
IUPAC name	[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea
Molecular weight	219.306
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.8
Synonyms	AC1NTKD9 MolPort-000-454-028 SR-01000198602 NSC-306890 STK948936 (E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide 81226-84-8 Hydrazinecarbothioamide, 2-(1-methyl-3-phenyl-2-propenylidene)-, (E,E)- Probes2_000401 [(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]thiourea AKOS002184015 NCGC00245573-01 SR-01000198602-1 CHEMBL1994401 NSC306890 ZINC15974424 AB00075269-01 MLS000576094 SMR000184785 benzalacetone thiosemicarbazone NSC 306890 ST50076842 (2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinecarbothioamide 6699-22-5 HMS1577N12 Probes1_000386 [((1E,3E)-2-methyl-4-phenyl-1-azabuta-1,3-dienyl)amino]aminomethane-1-thione [ Show all ]
Inchi Key	AIVYBZNYDAYFOK-NJHPPEEMSA-N
Inchi ID	InChI=1S/C11H13N3S/c1-9(13-14-11(12)15)7-8-10-5-3-2-4-6-10/h2-8H,1H3,(H3,12,14,15)/b8-7+,13-9+
PubChem CID	5405847
ChEMBL	CHEMBL1994401
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	2511.9 nM	PubChem BioAssay data set	ChEMBL

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