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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	3,6-dichloro-1-benzothiophene-2-carboxylic acid
Molecular formula	C9H4Cl2O2S
IUPAC name	3,6-dichloro-1-benzothiophene-2-carboxylic acid
Molecular weight	247.089
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.1
Synonyms	CTK1C2636 MCULE-9040814889 SR-01000412428-1 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid AKOS000113955 BDBM50424782 HMS1422D09 SBB006951 TR-051346 AB0167220 J-019658 SMR000413655 AC1Q729G EN300-00845 MLS000777260 ST45138818 34576-94-8 ALBB-000952 Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro- IDI1_009702 SC-13116 Z56896343 AC1LEPN5 CHEMBL1448105 L-3988 SR-01000412428 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid AF-399/25051010 F0818-0022 MolPort-000-499-462 STK396196 AAHPIJMQJAZYTM-UHFFFAOYSA-N BBL015713 BS-13937 IFLab1_003595 SCHEMBL6886010 ZINC176157 0F1 AC1Q3RLR [ Show all ]
Inchi Key	AAHPIJMQJAZYTM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
PubChem CID	739884
ChEMBL	CHEMBL1448105
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	14125.4 nM	PubChem BioAssay data set	ChEMBL
Potency	19438.4 nM	PubChem BioAssay data set	ChEMBL

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