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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	BDBM40988
Molecular formula	C23H25NO4S2
IUPAC name	2-ethoxyethyl 2-methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
Molecular weight	443.576
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.9
Synonyms	2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester cid_2917230 2-ethoxyethyl 2-methyl-5-oxidanylidene-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 5-keto-2-methyl-7-(2-thienyl)-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester
Inchi Key	CCCOBHPOSIIAGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25NO4S2/c1-3-27-7-8-28-23(26)20-14(2)24-17-11-16(19-5-4-9-30-19)12-18(25)22(17)21(20)15-6-10-29-13-15/h4-6,9-10,13,16,20-21H,3,7-8,11-12H2,1-2H3
PubChem CID	74712297
ChEMBL	N/A
IUPHAR	N/A
BindingDB	40988
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	<40000.0 nM	N/A	BindingDB

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