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GLASS

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GPCR

Name	Relaxin receptor 1
Species	Homo sapiens (Human)
Gene	RXFP1
Synonym	Relaxin family peptide receptor 1 RX1 relaxin/insulin like family peptide receptor 1 relaxin receptor 1 RXFPR1 LGR7 leucine-rich repeat-containing G-protein-coupled receptor 7 Leucine-rich repeat-containing G-protein coupled receptor 7 RXFP1 [ Show all ]
Disease	Acute heart failure
Length	757
Amino acid sequence	MTSGSVFFYILIFGKYFSHGGGQDVKCSLGYFPCGNITKCLPQLLHCNGVDDCGNQADEDNCGDNNGWSLQFDKYFASYYKMTSQYPFEAETPECLVGSVPVQCLCQGLELDCDETNLRAVPSVSSNVTAMSLQWNLIRKLPPDCFKNYHDLQKLYLQNNKITSISIYAFRGLNSLTKLYLSHNRITFLKPGVFEDLHRLEWLIIEDNHLSRISPPTFYGLNSLILLVLMNNVLTRLPDKPLCQHMPRLHWLDLEGNHIHNLRNLTFISCSNLTVLVMRKNKINHLNENTFAPLQKLDELDLGSNKIENLPPLIFKDLKELSQLNLSYNPIQKIQANQFDYLVKLKSLSLEGIEISNIQQRMFRPLMNLSHIYFKKFQYCGYAPHVRSCKPNTDGISSLENLLASIIQRVFVWVVSAVTCFGNIFVICMRPYIRSENKLYAMSIISLCCADCLMGIYLFVIGGFDLKFRGEYNKHAQLWMESTHCQLVGSLAILSTEVSVLLLTFLTLEKYICIVYPFRCVRPGKCRTITVLILIWITGFIVAFIPLSNKEFFKNYYGTNGVCFPLHSEDTESIGAQIYSVAIFLGINLAAFIIIVFSYGSMFYSVHQSAITATEIRNQVKKEMILAKRFFFIVFTDALCWIPIFVVKFLSLLQVEIPGTITSWVVIFILPINSALNPILYTLTTRPFKEMIHRFWYNYRQRKSMDSKGQKTYAPSFIWVEMWPLQEMPPELMKPDLFTYPCEMSLISQSTRLNSYS
UniProt	Q9HBX9
Protein Data Bank	2jm4
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 2jm4.
BioLiP	BL0101296
Therapeutic Target Database	T73696
ChEMBL	CHEMBL1293316
IUPHAR	351
DrugBank	N/A

Ligand

Name	CBKinase1_012319
Molecular formula	C17H11ClFN5OS
IUPAC name	2-[[4-(3-chloro-4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Molecular weight	387.817
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.0
Synonyms	MCULE-5730621510 STK848115 2-[[4-(3-chloro-4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one AKOS001733819 MolPort-002-298-868 2-{[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one SR-01000300290-1 A3823/0162351 CHEMBL1536340 MLS000679939 ZINC5557537 2-{[4-(3-chloro-4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone AKOS005628079 SMR000296820 2-{[4-(3-chloro-4-fluorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one CBKinase1_024719 HMS2755M06 STK781486 AC1LO662 MolPort-000-782-008 2-{[4-(3-chloro-4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one BRD-K39003225-001-01-1 SR-01000300290 728000-22-4 [ Show all ]
Inchi Key	FSQJVHRINDEYTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H11ClFN5OS/c18-13-7-11(5-6-14(13)19)24-15(21-22-17(24)26)9-23-16(25)12-4-2-1-3-10(12)8-20-23/h1-8H,9H2,(H,22,26)
PubChem CID	1258096
ChEMBL	CHEMBL1536340
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	12294.0 nM	PubChem BioAssay data set	ChEMBL
Potency	15477.2 nM	PubChem BioAssay data set	ChEMBL
Potency	15848.9 nM	PubChem BioAssay data set	ChEMBL

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