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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	MLS000536984
Molecular formula	C21H18N2O6
IUPAC name	[4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl] acetate
Molecular weight	394.383
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-nitrophenyl acetate CHEMBL1480264 [4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitro-phenyl] ethanoate acetic acid [4-methoxy-2-[(E)-2-(8-methoxy-2-quinolinyl)ethenyl]-6-nitrophenyl] ester BDBM67169 STK980376 cid_5740287 [4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl] acetate acetic acid [4-methoxy-2-[(E)-2-(8-methoxy-2-quinolyl)vinyl]-6-nitro-phenyl] ester MolPort-002-276-052 4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl acetate ZINC5065635 AC1NX09W HMS2398J06 AKOS000359153 SMR000143621 [ Show all ]
Inchi Key	DBGCMZKUJJBDQZ-CSKARUKUSA-N
Inchi ID	InChI=1S/C21H18N2O6/c1-13(24)29-21-15(11-17(27-2)12-18(21)23(25)26)8-10-16-9-7-14-5-4-6-19(28-3)20(14)22-16/h4-12H,1-3H3/b10-8+
PubChem CID	5740287
ChEMBL	CHEMBL1480264
IUPHAR	N/A
BindingDB	67169
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	32600.0 nM	N/A	BindingDB

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