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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	2-amino-1-(3-chlorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
Molecular formula	C17H10ClN5
IUPAC name	2-amino-1-(3-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
Molecular weight	319.752
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	2-AMINO-1-(3-CHLOROPHENYL)-1H-PYRROLO(2,3-B)QUINOXALINE-3-CARBONITRILE HMS1800P13 STK836717 326924-16-7 NCGC00100067-01 SR-01000083676 MCULE-6751799640 Z55699686 AC1LE28Z Oprea1_085343 CHEMBL1395126 SR-01000083676-1 2-amino-1-(3-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile MolPort-000-513-680 ZINC90118 AKOS001010607 Oprea1_193282 [ Show all ]
Inchi Key	ALMOBNZRINLJKG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H10ClN5/c18-10-4-3-5-11(8-10)23-16(20)12(9-19)15-17(23)22-14-7-2-1-6-13(14)21-15/h1-8H,20H2
PubChem CID	705204
ChEMBL	CHEMBL1395126
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	39810.7 nM	PubChem BioAssay data set	ChEMBL

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