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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	MLS000761483
Molecular formula	C20H19ClN2O
IUPAC name	7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
Molecular weight	338.835
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.5
Synonyms	AKOS000807942 KUC112871N 7-[(2-chlorophenyl)-pyrrolidin-1-yl-methyl]quinolin-8-ol Oprea1_225050 7-[(2-chlorophenyl)pyrrolidinylmethyl]quinolin-8-ol HMS2681I13 ST50037288 7-[(2-chlorophenyl)(pyrrolidin-1-yl)methyl]quinolin-8-ol AKOS016290438 MCULE-5091568330 7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol CHEMBL1585527 Oprea1_813706 AC1NPY8G KSC-335-034 STL305051 7-[(2-chlorophenyl)-(1-pyrrolidinyl)methyl]-8-quinolinol BDBM64703 7-[(2-chlorophenyl)-pyrrolidino-methyl]quinolin-8-ol cid_5187118 SMR000371583 [ Show all ]
Inchi Key	AATWULBPEFPAGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN2O/c21-17-8-2-1-7-15(17)19(23-12-3-4-13-23)16-10-9-14-6-5-11-22-18(14)20(16)24/h1-2,5-11,19,24H,3-4,12-13H2
PubChem CID	5187118
ChEMBL	CHEMBL1585527
IUPHAR	N/A
BindingDB	64703
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	<40000.0 nM	N/A	BindingDB

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