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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	MLS000770828
Molecular formula	C15H17ClN4O2S2
IUPAC name	N-(2-chloro-5-nitrophenyl)-2-(diethylamino)-4-methyl-1,3-thiazole-5-carbothioamide
Molecular weight	384.897
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM67287 N-(2-chloranyl-5-nitro-phenyl)-2-(diethylamino)-4-methyl-1,3-thiazole-5-carbothioamide cid_2100716 N-(2-chloro-5-nitrophenyl)-2-(diethylamino)-4-methyl-5-thiazolecarbothioamide AC1M1L8Z ZINC13636267 N-(2-chloro-5-nitro-phenyl)-2-(diethylamino)-4-methyl-thiazole-5-carbothioamide HMS2705P15 SMR000344072 AKOS034448581 MolPort-005-861-239 CHEMBL1511616 N-(2-chloro-5-nitrophenyl)-2-(diethylamino)-4-methyl-1,3-thiazole-5-carbothioamide 745026-70-4 MCULE-4277380445 Z55920525 [ Show all ]
Inchi Key	DKCVZWQRTVXRGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17ClN4O2S2/c1-4-19(5-2)15-17-9(3)13(24-15)14(23)18-12-8-10(20(21)22)6-7-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,23)
PubChem CID	2100716
ChEMBL	CHEMBL1511616
IUPHAR	N/A
BindingDB	67287
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	5550.0 nM	N/A	BindingDB

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