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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000568477
Molecular formula	C21H18BrN5O
IUPAC name	5-bromo-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imino-1H-indol-2-one
Molecular weight	436.313
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	454207-26-2 AKOS034460871 Z56849092 5-bromo-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]-2-indolone CHEMBL1405610 Oprea1_108170 5-bromanyl-3-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amino]indol-2-one BDBM67178 5-bromo-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]indol-2-one cid_2372559 AC1M6G6U SMR000154581 5-bromo-3-[(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)imino]-2,3-dihydro-1H-indol-2-one 5-bromo-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)anilino]indol-2-one [ Show all ]
Inchi Key	CTKLTOVLSYUJNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H18BrN5O/c22-14-7-10-17-16(12-14)19(21(28)24-17)23-15-8-5-13(6-9-15)20-26-25-18-4-2-1-3-11-27(18)20/h5-10,12H,1-4,11H2,(H,23,24,28)
PubChem CID	135443160
ChEMBL	CHEMBL1405610
IUPHAR	N/A
BindingDB	67178
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	31900.0 nM	N/A	BindingDB

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