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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	MLS001171697
Molecular formula	C23H22FN3OS2
IUPAC name	2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Molecular weight	439.567
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.6
Synonyms	2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(4-fluorophenyl)-6-methyl-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one cid_2460453 Z24750889 2-(2-dimethylaminoethylsulfanyl)-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one AC1M73U5 MLS-0354500.0001 2-[2-(dimethylamino)ethylthio]-5-(4-fluorophenyl)-6-methyl-3-phenyl-4-thieno[2,3-d]pyrimidinone REGID_for_CID_2460453 734545-70-1 HMS2907B20 ZINC3343977 2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one AKOS033923472 2-[2-(dimethylamino)ethylthio]-5-(4-fluorophenyl)-6-methyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CHEMBL1382003 SMR000589497 MCULE-2427285714 2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophenyl)-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one BDBM80039 MolPort-005-874-815 [ Show all ]
Inchi Key	WIQVPSDSSXAQHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22FN3OS2/c1-15-19(16-9-11-17(24)12-10-16)20-21(30-15)25-23(29-14-13-26(2)3)27(22(20)28)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3
PubChem CID	2460453
ChEMBL	CHEMBL1382003
IUPHAR	N/A
BindingDB	80039
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	30900.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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