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TargetCalcitonin gene-related peptide 1
LigandBDBM50246688
Substrate/Competitorn/a
Meas. Tech.ChEMBL_556924 (CHEMBL954950)
IC50 1.7±n/a nM
Citation Miranda, LPHolder, JRShi, LBennett, BAral, JGegg, CVWright, MWalker, KDoellgast, GRogers, RLi, HValladares, VSalyers, KJohnson, EWild, K Identification of potent, selective, and metabolically stable peptide antagonists to the calcitonin gene-related peptide (CGRP) receptor. J Med Chem51:7889-97 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Calcitonin gene-related peptide 1
Name:Calcitonin gene-related peptide 1
Synonyms:CALC1 | CALCA | CALCA_HUMAN | CGRP | Calcitonin gene-related peptide (CGRP alpha) | Calcitonin gene-related peptide 1
Type:Enzyme
Mol. Mass.:13902.80
Organism:Homo sapiens (Human)
Description:P06881
Residue:128
Sequence:
MGFQKFSPFLALSILVLLQAGSLHAAPFRSALESSPADPATLSEDEARLLLAALVQDYVQ
MKASELEQEQEREGSRIIAQKRACDTATCVTHRLAGLLSRSGGVVKNNFVPTNVGSKAFG
RRRRDLQA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50246688
n/a
NameBDBM50246688
Synonyms:Ac-VTHRLAGLLSRSGGVVKNNFVPTDVGPFAF-NH2 | CHEMBL509374
TypeSmall organic molecule
Emp. Form.C146H230N42O39
Mol. Mass.3197.6464
SMILESCC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:167.169,196.200,211.216,17.21,50.51,103.103,117.117,64.64,134.134,168.172,36.43,182.184,78.78,wD:12.12,153.154,163.166,89.89,110.110,4.4,58.60,126.126,72.72,142.142,174.176,25.32,200.203,46.47,216.220,(21.38,-9.25,;21.37,-7.7,;22.71,-6.93,;20.04,-6.95,;20.03,-5.4,;18.68,-4.65,;17.35,-5.42,;17.35,-6.97,;16.01,-4.67,;14.69,-5.44,;13.36,-4.66,;13.35,-3.11,;12.03,-5.43,;12.04,-6.97,;10.68,-4.68,;9.35,-5.45,;9.35,-6.99,;8.01,-4.69,;8,-3.15,;9.33,-2.38,;9.33,-.83,;10.67,-3.13,;6.68,-5.47,;5.36,-4.69,;5.36,-3.15,;4.03,-5.46,;4.03,-7,;5.37,-7.77,;5.38,-9.3,;6.71,-10.09,;6.73,-11.63,;5.38,-12.41,;8.05,-12.39,;2.69,-4.7,;1.36,-5.48,;1.37,-7.01,;.03,-4.71,;.02,-3.17,;1.35,-2.4,;2.74,-3.01,;3.78,-1.87,;3.01,-.55,;1.5,-.86,;-1.3,-5.49,;-2.63,-4.72,;-2.64,-3.17,;-3.97,-5.49,;-5.3,-4.73,;-6.63,-5.51,;-6.63,-7.05,;-7.97,-4.75,;-9.29,-5.53,;-10.62,-4.75,;-11.95,-5.52,;-10.62,-3.22,;-7.98,-3.21,;-6.64,-2.43,;-9.31,-2.44,;-3.96,-7.03,;-5.28,-7.81,;-2.64,-7.8,;21.36,-4.63,;21.35,-3.09,;22.69,-5.41,;24.02,-4.64,;24.01,-3.09,;25.34,-2.32,;25.34,-.78,;26.68,-3.09,;25.36,-5.4,;25.36,-6.94,;26.69,-4.62,;28.03,-5.36,;28.04,-6.91,;29.36,-7.68,;29.36,-4.59,;29.36,-3.05,;30.7,-5.35,;32.03,-4.58,;32.02,-3.03,;33.35,-2.26,;33.34,-.72,;34.68,.05,;34.68,1.59,;33.33,2.34,;36.01,2.36,;33.36,-5.34,;33.37,-6.88,;34.7,-4.57,;36.05,-5.3,;36.06,-6.85,;37.37,-7.63,;37.38,-4.53,;37.37,-2.99,;38.71,-5.32,;40.03,-4.53,;41.37,-5.3,;41.38,-6.83,;42.7,-4.53,;44.05,-5.28,;45.38,-4.5,;45.37,-2.96,;46.7,-5.28,;48.03,-4.51,;48.02,-2.97,;49.36,-2.2,;46.69,-2.21,;49.37,-5.27,;49.37,-6.82,;50.7,-4.5,;52.05,-5.24,;52.06,-6.77,;53.4,-7.54,;50.73,-7.55,;53.38,-4.46,;53.37,-2.92,;54.71,-5.25,;56.03,-4.47,;56.03,-2.94,;57.36,-2.16,;57.35,-.62,;58.68,.16,;58.65,1.68,;57.37,-5.24,;57.38,-6.78,;58.7,-4.47,;60.05,-5.21,;60.05,-6.75,;61.39,-7.51,;62.7,-6.75,;61.4,-9.05,;61.38,-4.44,;61.38,-2.89,;62.7,-5.22,;64.03,-4.45,;64.02,-2.9,;65.35,-2.13,;66.67,-2.91,;65.35,-.59,;65.37,-5.2,;65.37,-6.75,;66.7,-4.43,;68.04,-5.18,;68.04,-6.72,;69.38,-7.49,;70.73,-6.72,;72.05,-7.48,;72.05,-9.01,;70.72,-9.77,;69.38,-9.01,;69.38,-4.42,;69.38,-2.87,;70.71,-5.18,;72.04,-4.42,;73.37,-5.18,;73.37,-6.72,;74.71,-4.42,;72.04,-2.87,;70.71,-2.11,;73.41,-2.18,;74.79,-2.86,;75.87,-1.78,;75.18,-.4,;73.65,-.65,;72.57,.45,;71.08,.05,;72.97,1.93,;71.87,3.02,;70.39,2.62,;69.99,1.13,;69.29,3.7,;72.27,4.5,;73.76,4.9,;71.18,5.58,;71.5,7.09,;72.96,7.58,;73.28,9.09,;72.12,10.1,;74.74,9.56,;70.35,8.11,;68.89,7.64,;70.66,9.62,;69.51,10.65,;68.05,10.18,;66.91,11.2,;67.74,8.67,;69.84,12.16,;71.29,12.63,;68.68,13.18,;69,14.69,;67.86,15.73,;66.39,15.24,;68.09,17.08,;67.04,18.19,;67.78,19.53,;69.29,19.25,;69.5,17.71,;70.85,17,;70.89,15.45,;72.16,17.8,;73.51,17.06,;73.56,15.53,;74.91,14.79,;76.22,15.59,;77.57,14.86,;77.61,13.33,;76.3,12.52,;74.95,13.26,;74.83,17.87,;74.79,19.41,;76.18,17.14,;77.49,17.94,;77.45,19.48,;78.84,17.2,;78.89,15.66,;80.15,18.01,;81.51,17.27,;81.55,15.73,;82.9,15,;84.21,15.81,;85.56,15.07,;85.6,13.54,;84.29,12.73,;82.95,13.47,;82.82,18.08,;84.17,17.34,;82.77,19.62,)|
Structure
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