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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	(R)-PIA
Molecular formula	C19H23N5O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	385.424
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.0
Synonyms	PDSP1_000297 R-(-)-N6-(2-Phenyl-isopropyl)adenosine ZINC4475322 (-)-PIA (R)-N6-Phenylisopropyladenosine HMS2235H09 N-(1-methyl-2-phenylethyl)adenosine, (R)-isomer PDSP2_000295 R-PIA (-)-N-(alpha-Methylphenethyl)adensoine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol Adenosine, N-[(1R)-1-methyl-2-phenylethyl]- D05LFC l-Phenylisopropyladenosine N6-D-Phenylisopropyladenosine NCGC00162295-02 Phenylisopropyladenosine, L- SMR001230656 (-)-N6-(2-Phenylisopropyl)adenosine (R)-N6-(1-Methyl-2-phenylethyl)adenosine 38594-96-6 BRN 4912716 FT-0639482 MFCD00069194 PDSP1_000444 R-(-)-PIA (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol AC1L3PQ7 CHEMBL139000 L-2-N6-(Phenylisopropyl)adenosine N6-(L-2-Phenylisopropyl)adenosine PDSP2_000442 REGID_for_CID_93205 (-)-n6-(2-phenylisopropyl) adenosine (R)-(Phenylisopropyl)adenosine 29-36-7 AKOS030530544 D0M3CG L-PIA N6-[(R)-1-Methyl-2-phenylethyl]ado (R-PIA) NCGC00162295-03 R(-)-N(sup 6)-2-Phenylisopropyladenosine TH 162 (-)-N6-(2-Phenylisopropyl)adenosine, solid (R)-N6-(2-Phenylisopropyl)adenosine C19H23N5O4 GTPL414 MLS002153162 PDSP1_001029 R-N6-(phenylisopropyl)adenosine (-)-(Phenylisopropyl)adenosine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol 129601-64-5 Adenosine, N-(1-methyl-2-phenylethyl)-, (R)- CTK8F1415 l-N(sup 6)-Phenylisopropyladenosine N6-(R)-Phenylisopropyladenosine NCGC00162295-01 PDSP2_001013 SCHEMBL8907369 (-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE (R)-N-(1-Methyl-2-phenylethyl)adenosine 31747-27-0 BDBM50118810 EINECS 254-028-5 LS-15160 [ Show all ]
Inchi Key	RIRGCFBBHQEQQH-SSFGXONLSA-N
Inchi ID	InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1
PubChem CID	93205
ChEMBL	CHEMBL139000
IUPHAR	414
BindingDB	50118810
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	5491.5 nM	PubChem BioAssay data set	ChEMBL
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL

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