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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	SMR000078105
Molecular formula	C16H12N4OS3
IUPAC name	3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	372.479
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.4
Synonyms	CHEMBL1309478 regid4258465 ZINC17208330 3-amino-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide MCULE-1367489980 SCHEMBL424863 AC1LV2Q8 BDBM76992 MolPort-000-921-496 SR-01000282976-1 3-amino-N-(4-methyl-2-thiazolyl)-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide cid_1596915 REGID_for_CID_1596915 3-azanyl-N-(4-methyl-1,3-thiazol-2-yl)-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-carboxamide MLS000064430 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide AKOS003681095 Oprea1_293570 STK847432 3-amino-N-(4-methylthiazol-2-yl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide HMS2490A16 RSC000402 371117-13-4 AKOS005627886 MolPort-000-762-006 SR-01000282976 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide [ Show all ]
Inchi Key	FMKRJNAUBWDCBD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12N4OS3/c1-8-7-23-16(18-8)20-14(21)13-12(17)9-4-5-10(19-15(9)24-13)11-3-2-6-22-11/h2-7H,17H2,1H3,(H,18,20,21)
PubChem CID	1596915
ChEMBL	CHEMBL1309478
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	28183.8 nM	PubChem BioAssay data set	ChEMBL

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