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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	MLS000698760
Molecular formula	C11H10ClN3S2
IUPAC name	1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
Molecular weight	283.792
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.5
Synonyms	1-(3-chlorophenyl)-3-(4-methyl-2-thiazolyl)thiourea HMS2545H06 AKOS003261932 N-(3-chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)thiourea CHEMBL1457787 1-(3-chlorophenyl)-3-(4-methylthiazol-2-yl)thiourea BDBM67239 SMR000227756 1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea cid_1225439 MolPort-001-621-828 ZINC8830398 [ Show all ]
Inchi Key	BNYMXHNGRALRBV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H10ClN3S2/c1-7-6-17-11(13-7)15-10(16)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H2,13,14,15,16)
PubChem CID	1225439
ChEMBL	CHEMBL1457787
IUPHAR	N/A
BindingDB	67239
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	33100.0 nM	N/A	BindingDB

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