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GLASS

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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	MLS000528306
Molecular formula	C14H12N4S
IUPAC name	N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Molecular weight	268.338
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine CCG-120096 N-(3-methyl-2-pyridinyl)-4-(2-pyridinyl)-2-thiazolamine TCMDC-125846 AC1LJEER cid_972880 N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (3-methyl(2-pyridyl))(4-(2-pyridyl)(1,3-thiazol-2-yl))amine BAS 08770268 SMR000120881 2-(3-methylpyridylamino)-4-(2-pyridyl)thiazole N-(3-methyl-2-pyridyl)-4-(2-pyridyl)thiazol-2-amine ZINC613283 AKOS000563477 HMS2177P16 SCHEMBL16112373 (3-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine BDBM49381 MolPort-002-013-561 ST090278 CHEMBL528694 N-(3-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine AUWIYYMLXLLRIY-UHFFFAOYSA-N MCULE-7785909335 SJ000113257 [ Show all ]
Inchi Key	AUWIYYMLXLLRIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)
PubChem CID	972880
ChEMBL	CHEMBL528694
IUPHAR	N/A
BindingDB	49381
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	4040.0 nM	N/A	BindingDB

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