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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	BDBM67234
Molecular formula	C19H17ClN2O4
IUPAC name	methyl 5-[(4-chlorophenyl)-hydroxymethyl]-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
Molecular weight	372.805
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	methyl 3-(4-chlorophenyl)carbonyl-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate 3-[(4-chlorophenyl)-oxomethyl]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid methyl ester 5-(4-chlorobenzoyl)-4-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid methyl ester cid_4691872
Inchi Key	CPBULYPIENLSMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17ClN2O4/c1-25-14-9-5-11(6-10-14)15-16(21-22-17(15)19(24)26-2)18(23)12-3-7-13(20)8-4-12/h3-10,18,23H,1-2H3,(H,21,22)
PubChem CID	91897666
ChEMBL	N/A
IUPHAR	N/A
BindingDB	67234
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	7270.0 nM	N/A	BindingDB

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