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Target
Mas-related G-protein coupled receptor member X1
Ligand
BDBM50413337
Substrate
n/a
Meas. Tech.
ChEMBL_562318 (CHEMBL1015292)
EC50
794.33±n/a nM
Citation
 Malik, L; Kelly, NM; Ma, JN; Currier, EA; Burstein, ES; Olsson, R Discovery of non-peptidergic MrgX1 and MrgX2 receptor agonists and exploration of an initial SAR using solid-phase synthesis. Bioorg Med Chem Lett 19:1729-32 (2009) [PubMed]  Article 
Target
Name:
Mas-related G-protein coupled receptor member X1
Synonyms:
MRGPRX1 | MRGX1 | MRGX1_HUMAN | SNSR3 | SNSR4
Type:
PROTEIN
Mol. Mass.:
36253.68
Organism:
Homo sapiens (Human)
Description:
ChEMBL_516621
Residue:
322
Sequence:
MDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ
  
Inhibitor
Name:
BDBM50413337
Synonyms:
BAM-22 | CHEMBL506128
Type:
Small organic molecule
Emp. Form.:
C130H184N38O31S2
Mol. Mass.:
2839.218
SMILES:
CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(O)=O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(O)=O |(6.92,8,;7.63,7.6,;7.64,6.78,;6.93,6.35,;6.93,5.53,;6.22,5.12,;5.5,5.52,;5.5,6.35,;4.79,5.1,;4.8,4.28,;5.52,3.87,;6.18,4.36,;6.85,3.88,;6.6,3.09,;7.02,2.38,;6.61,1.66,;5.78,1.66,;5.36,2.37,;5.77,3.09,;4.08,5.52,;3.37,5.09,;3.37,4.27,;2.65,5.5,;2.65,6.32,;3.36,6.74,;4.02,6.25,;4.69,6.74,;4.44,7.52,;4.86,8.23,;4.46,8.95,;3.63,8.96,;3.21,8.25,;3.62,7.53,;1.94,5.08,;1.22,5.49,;1.22,6.32,;.51,5.07,;.51,4.24,;1.23,3.83,;1.24,3.01,;1.95,2.6,;.52,2.59,;-.21,5.48,;-.92,5.07,;-.92,4.24,;-1.64,5.47,;-1.73,6.29,;-2.54,6.46,;-2.94,5.74,;-2.39,5.14,;-2.39,4.3,;-1.67,3.89,;-3.11,3.89,;-3.82,4.31,;-3.82,5.13,;-4.53,5.55,;-4.53,6.37,;-5.25,6.79,;-5.97,6.37,;-5.25,7.61,;-3.1,3.07,;-3.82,2.65,;-4.54,3.07,;-3.82,1.83,;-4.54,1.42,;-4.54,.59,;-3.82,.18,;-5.25,.18,;-5.25,-.64,;-4.54,-1.06,;-3.83,-.64,;-4.54,-1.88,;-5.25,-2.29,;-5.97,-1.88,;-6.69,-2.29,;-7.4,-1.87,;-8.11,-2.29,;-8.12,-3.11,;-8.83,-1.87,;-3.83,-2.3,;-3.83,-3.13,;-4.55,-3.54,;-3.12,-3.54,;-2.4,-3.13,;-2.4,-2.3,;-1.68,-1.89,;-1.68,-1.07,;-.97,-.65,;-.26,-1.06,;-.97,.18,;-3.12,-4.37,;-2.41,-4.79,;-1.69,-4.37,;-2.41,-5.6,;-3.12,-6.02,;-3.84,-5.61,;-4.55,-6.02,;-5.27,-5.61,;-1.69,-6.02,;-1.69,-6.85,;-2.41,-7.26,;-.98,-7.26,;-.26,-6.85,;-.26,-6.02,;-.98,-5.62,;-.97,-4.79,;-.26,-4.38,;.46,-4.79,;.46,-5.61,;-.98,-8.09,;-.27,-8.5,;.45,-8.09,;-.28,-9.33,;.44,-9.74,;.44,-10.57,;-.28,-10.98,;1.16,-10.98,;1.15,-11.8,;1.87,-12.21,;2.58,-11.79,;1.86,-13.03,;2.57,-13.44,;1.15,-13.44,;.43,-13.03,;.43,-12.21,;-.27,-11.79,;-.99,-12.2,;-1.71,-11.8,;-.99,-13.03,;-.28,-13.44,;-5.97,.6,;-6.69,.19,;-5.97,1.42,;7.65,5.13,;7.65,4.3,;8.36,5.55,;9.08,5.14,;9.09,4.31,;9.8,3.9,;9.8,3.08,;10.51,4.32,;9.79,5.55,;9.79,6.38,;10.51,5.14,;11.22,5.56,;11.21,6.39,;11.92,6.8,;11.92,7.63,;12.63,8.04,;13.35,7.64,;14.06,8.05,;13.35,6.81,;12.64,6.39,;11.93,5.15,;11.94,4.33,;12.65,5.57,;13.37,5.17,;13.37,4.34,;14.09,3.93,;14.1,3.1,;14.81,2.69,;13.38,2.68,;14.08,5.58,;14.08,6.4,;14.79,5.16,;15.5,5.58,;15.5,6.41,;16.21,6.82,;16.2,7.65,;16.92,8.06,;16.91,8.89,;16.22,5.17,;16.22,4.35,;16.93,5.59,;17.65,5.19,;17.66,4.36,;18.37,3.95,;18.37,3.12,;19.09,2.71,;19.1,1.89,;18.38,1.47,;19.81,1.48,;18.36,5.6,;18.36,6.42,;19.08,5.19,;19.79,5.61,;19.78,6.44,;20.49,6.85,;21.21,6.45,;21.92,6.86,;21.92,7.68,;22.63,8.1,;21.2,8.09,;20.49,7.67,;20.5,5.2,;20.51,4.37,;21.21,5.62,;21.93,5.21,;22.64,5.62,;23.36,5.22,;22.64,6.45,)|
Structure:
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