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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	SMR000147498
Molecular formula	C22H20ClN3OS2
IUPAC name	3-amino-4-(4-chlorophenyl)-N,N-diethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
Molecular weight	441.992
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.2
Synonyms	RSC005370 AKOS003680476 EU-0081186 ZINC1295962 3-Amino-4-(4-chloro-phenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-carboxylic acid diethylamide MLS000555981 499119-74-3 HMS2348B21 3-amino-4-(4-chlorophenyl)-N,N-diethyl-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide MolPort-000-701-624 AC1LR0KQ CHEMBL1488995 STK546025 MCULE-6617781972 3-amino-4-(4-chlorophenyl)-N,N-diethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide [ Show all ]
Inchi Key	KGKFCPHSLHZTNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20ClN3OS2/c1-3-26(4-2)22(27)20-19(24)18-15(13-7-9-14(23)10-8-13)12-16(25-21(18)29-20)17-6-5-11-28-17/h5-12H,3-4,24H2,1-2H3
PubChem CID	1415522
ChEMBL	CHEMBL1488995
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	28183.8 nM	PubChem BioAssay data set	ChEMBL

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