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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	MLS000388665
Molecular formula	C23H18N4O2
IUPAC name	N'-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide
Molecular weight	382.423
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.3
Synonyms	2,5-diphenyl-N''-(phenylcarbonyl)pyrazole-3-carbohydrazide cid_4883406 N''-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide AC1NK75H MLS-0208644.0001 SMR000254838 N''-benzoyl-2,5-diphenyl-3-pyrazolecarbohydrazide HMS2565I10 N'-(1,3-diphenyl-1H-pyrazole-5-carbonyl)benzohydrazide AKOS034081550 Z29287623 CHEMBL1309871 N''-benzoyl-2,5-diphenyl-pyrazole-3-carbohydrazide 875156-62-0 MCULE-7736272713 N'-benzoyl-2,5-diphenylpyrazole-3-carbohydrazide BDBM80006 MolPort-004-137-223 ZINC5634757 [ Show all ]
Inchi Key	BWSDYKXKOONUOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
PubChem CID	4883406
ChEMBL	CHEMBL1309871
IUPHAR	N/A
BindingDB	80006
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	14800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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