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Target
Mas-related G-protein coupled receptor member X1
Ligand
BDBM50413010
Substrate
n/a
Meas. Tech.
ChEMBL_516621 (CHEMBL991397)
EC50
794±n/a nM
Citation
 Wroblowski, B; Wigglesworth, MJ; Szekeres, PG; Smith, GD; Rahman, SS; Nicholson, NH; Muir, AI; Hall, A; Heer, JP; Garland, SL; Coates, WJ The discovery of a selective, small molecule agonist for the MAS-related gene X1 receptor. J Med Chem 52:818-25 (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:
BDBM50413010
Synonyms:
BAM-3200 | CHEMBL506884
Type:
Small organic molecule
Emp. Form.:
C147H207N41O34S2
Mol. Mass.:
3156.601
SMILES:
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:45.48,22.36,120.126,93.102,4.4,71.83,144.150,67.72,165.172,185.192,52.64,216.225,wD:8.20,136.142,156.163,174.181,82.94,36.45,101.114,205.213,(16.32,.88,;17.63,.05,;17.57,-1.49,;16.21,-2.2,;16.15,-3.74,;14.81,-4.51,;13.51,-3.68,;13.57,-2.14,;12.15,-4.39,;12.1,-5.93,;13.4,-6.75,;14.83,-6.17,;15.82,-7.36,;14.99,-8.66,;15.43,-10.15,;14.35,-11.26,;12.87,-10.88,;12.45,-9.4,;13.52,-8.29,;10.83,-3.6,;9.44,-4.27,;9.39,-5.8,;8.16,-3.45,;8.22,-1.91,;9.56,-1.19,;10.96,-1.87,;12.02,-.76,;11.29,.6,;11.83,2.05,;10.83,3.24,;9.31,2.96,;8.79,1.52,;9.78,.34,;6.82,-4.22,;5.52,-3.39,;5.58,-1.85,;4.15,-4.11,;4.1,-5.65,;5.41,-6.46,;5.35,-8,;4.02,-8.72,;6.65,-8.82,;2.85,-3.29,;1.47,-3.98,;1.41,-5.51,;.17,-3.16,;.3,-1.62,;-1.33,-1.21,;-2.2,-2.65,;-1.13,-3.93,;-1.39,-5.46,;-.19,-6.44,;-2.82,-6,;-4,-5.03,;-3.75,-3.51,;-4.96,-2.52,;-4.64,-1.02,;-5.83,-.04,;-7.24,-.61,;-5.53,1.44,;-3.03,-7.52,;-4.42,-8.18,;-5.7,-7.31,;-4.53,-9.7,;-5.89,-10.43,;-6.06,-11.96,;-4.78,-12.82,;-7.45,-12.64,;-7.49,-14.18,;-6.2,-15.03,;-4.84,-14.36,;-6.32,-16.57,;-7.64,-17.35,;-9,-16.62,;-10.32,-17.41,;-11.67,-16.67,;-12.98,-17.48,;-12.87,-19.05,;-14.26,-16.77,;-5.04,-17.42,;-5.07,-18.96,;-6.37,-19.76,;-3.7,-19.68,;-2.38,-18.86,;-2.44,-17.33,;-1.14,-16.52,;-1.11,-14.98,;.16,-14.11,;1.57,-14.88,;.16,-12.6,;-3.61,-21.22,;-2.26,-21.95,;-.95,-21.15,;-2.21,-23.5,;-3.53,-24.31,;-4.88,-23.57,;-6.19,-24.39,;-7.56,-23.65,;-.86,-24.23,;-.88,-25.77,;-2.18,-26.58,;.48,-26.5,;1.8,-25.69,;1.76,-24.15,;.39,-23.43,;.35,-21.89,;1.68,-21.08,;3.02,-21.82,;3.06,-23.34,;.54,-28.04,;1.96,-28.64,;3.18,-27.72,;2.13,-30.18,;3.55,-30.78,;3.68,-32.31,;2.46,-33.25,;5.11,-32.93,;5.32,-34.46,;6.74,-35.06,;7.97,-34.14,;6.91,-36.6,;8.42,-37.22,;5.67,-37.5,;4.28,-36.9,;4.08,-35.38,;2.68,-34.78,;1.45,-35.71,;.06,-35.13,;1.63,-37.24,;3.05,-37.83,;-8.74,-11.79,;-10.11,-12.46,;-8.62,-10.25,;17.45,-4.56,;17.39,-6.09,;18.83,-3.87,;20.14,-4.69,;20.08,-6.22,;21.38,-7.03,;22.77,-6.34,;21.33,-8.57,;21.5,-3.96,;21.55,-2.42,;22.79,-4.79,;24.13,-4.04,;24.17,-2.49,;25.54,-1.78,;25.59,-.24,;26.95,.49,;28.26,-.33,;29.65,.36,;28.21,-1.88,;26.85,-2.59,;25.43,-4.85,;25.37,-6.39,;26.81,-4.17,;28.11,-4.98,;28.05,-6.52,;29.36,-7.33,;29.3,-8.87,;27.98,-9.62,;30.6,-9.68,;29.47,-4.25,;29.53,-2.71,;30.77,-5.09,;32.11,-4.33,;32.17,-2.78,;33.52,-2.07,;33.58,-.53,;34.93,.19,;35.02,1.7,;33.4,-5.14,;33.36,-6.67,;34.78,-4.45,;36.09,-5.27,;36.03,-6.8,;37.34,-7.63,;37.28,-9.16,;38.58,-9.98,;38.51,-11.52,;37.18,-12.25,;39.84,-12.36,;37.45,-4.56,;37.51,-3.01,;38.76,-5.37,;40.11,-4.64,;40.17,-3.09,;41.52,-2.37,;42.83,-3.2,;44.2,-2.47,;44.25,-.92,;45.64,-.22,;42.95,-.11,;41.58,-.83,;41.41,-5.44,;41.36,-6.99,;42.78,-4.74,;44.1,-5.55,;45.46,-4.84,;45.51,-3.29,;46.76,-5.65,;48.12,-4.92,;49.41,-5.73,;49.36,-7.27,;50.78,-5.02,;52.09,-5.84,;52.03,-7.39,;53.35,-8.2,;54.71,-7.47,;56.02,-8.29,;55.96,-9.84,;54.6,-10.57,;53.29,-9.74,;53.46,-5.13,;53.51,-3.59,;54.77,-5.94,;56.14,-5.24,;56.19,-3.69,;57.55,-2.96,;57.6,-1.42,;58.84,-3.78,;57.43,-6.04,;58.79,-5.32,;57.37,-7.58,)|
Structure:
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