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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	MLS001206870
Molecular formula	C19H13NO7
IUPAC name	[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate
Molecular weight	367.313
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	2-methoxy-4-[(E)-2-nitroethenyl]phenyl 2-oxo-2H-chromene-3-carboxylate BDBM67326 SMR000516365 ZINC943468 302573-72-4 cid_1183382 AKOS000536876 MolPort-000-800-287 2-oxo-1-benzopyran-3-carboxylic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester ST50187531 [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxidanylidenechromene-3-carboxylate 4-((1E)-2-nitrovinyl)-2-methoxyphenyl 2-oxochromene-3-carboxylate HMS2815P22 2-ketochromene-3-carboxylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester BAS 01220089 Oprea1_730708 2-Oxo-2H-chromene-3-carboxylic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester CHEMBL1333737 STK852366 [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate [ Show all ]
Inchi Key	AIAOTAFSXSSCRY-CMDGGOBGSA-N
Inchi ID	InChI=1S/C19H13NO7/c1-25-17-10-12(8-9-20(23)24)6-7-16(17)27-19(22)14-11-13-4-2-3-5-15(13)26-18(14)21/h2-11H,1H3/b9-8+
PubChem CID	1183382
ChEMBL	CHEMBL1333737
IUPHAR	N/A
BindingDB	67326
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	12100.0 nM	N/A	BindingDB

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