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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	MLS000331887
Molecular formula	C11H12N6O2S
IUPAC name	4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
Molecular weight	292.317
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	4-methoxy-N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide AKOS000465942 SMR000221339 4-methoxy-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]benzamide HMS2557H06 4-methoxy-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide AP-970/42445617 MolPort-001-589-006 STK743522 4-methoxy-N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide CHEMBL1386972 1-(4-Methoxy-benzoyl)-3-(2-methyl-2H-tetrazol-5-yl)-thiourea AC1LIUJD MCULE-1409495298 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide BDBM67238 N-(4-methoxybenzoyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea ZINC533424 587010-25-1 cid_938458 [ Show all ]
Inchi Key	DBXOVTUVEZVYTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N6O2S/c1-17-15-10(14-16-17)13-11(20)12-9(18)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H2,12,13,15,18,20)
PubChem CID	938458
ChEMBL	CHEMBL1386972
IUPHAR	N/A
BindingDB	67238
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	14500.0 nM	N/A	BindingDB

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