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GLASS

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

Name	Apelin receptor
Species	Homo sapiens (Human)
Gene	APLNR
Synonym	msr/apj GPCR34 G-protein coupled receptor HG11 G-protein coupled receptor APJ AGTRL1 angiotensin II receptor-like 1 angiotensin receptor-like 1 APJR APJ apelin receptor B78 [ Show all ]
Disease	N/A
Length	380
Amino acid sequence	MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
UniProt	P35414
Protein Data Bank	5vbl
GPCR-HGmod model	P35414
3D structure model	This structure is from PDB ID 5vbl.
BioLiP	BL0380094, BL0380093
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1628481
IUPHAR	36
DrugBank	N/A

Ligand

Name	MLS000860444
Molecular formula	C14H18N4OS
IUPAC name	N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide
Molecular weight	290.385
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	AC1MDLLZ MolPort-002-901-504 ZINC153267 CHEMBL1556712 N''-(4-tert-butylphenyl)-4-methyl-thiadiazole-5-carbohydrazide MCULE-3570668412 N'-[4-(tert-butyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide BDBM67300 N''-(4-tert-butylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide cid_2813088 N''-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide SMR000458528 N''-(4-tert-butylphenyl)-4-methyl-5-thiadiazolecarbohydrazide HMS2812I06 N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide [ Show all ]
Inchi Key	AMLNHSYELJZRKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19)
PubChem CID	2813088
ChEMBL	CHEMBL1556712
IUPHAR	N/A
BindingDB	67300
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3930.0 nM	N/A	BindingDB

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