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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	BRD-A72341983-001-05-8
Molecular formula	C19H23ClN4O5S2
IUPAC name	5-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylsulfonylpyrimidine-4-carboxamide
Molecular weight	486.986
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.5
Synonyms	5-chloro-N-{4-[(2-ethylpiperidin-1-yl)sulfonyl]phenyl}-2-(methylsulfonyl)pyrimidine-4-carboxamide cid_16437205 SR-01000823836-2 AKOS016160377 MLS003880620 5-chloro-N-[4-(2-ethylpiperidino)sulfonylphenyl]-2-mesyl-pyrimidine-4-carboxamide SMR000625579 MCULE-1811395225 STK908417 5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylsulfonyl-pyrimidine-4-carboxamide BDBM54849 MolPort-000-399-293 5-chloro-N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-2-methylsulfonyl-4-pyrimidinecarboxamide CHEMBL1407961 SR-01000823836 AKOS001514873 MLS001116347 5-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylsulfonylpyrimidine-4-carboxamide REGID_for_CID_16437205 [ Show all ]
Inchi Key	ISAAEPNCJSJWPZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
PubChem CID	16437205
ChEMBL	CHEMBL1407961
IUPHAR	N/A
BindingDB	54849
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	5110.0 nM	N/A	BindingDB

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