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TargetCalcitonin gene-related peptide (CGRP alpha)
LigandBDBM50246689
Substrate/Competitorn/a
Meas. Tech.ChEMBL_556924
IC50 0.710000±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 (CGRP alpha)
Name:Calcitonin gene-related peptide (CGRP alpha)
Synonyms:CGRP | Calcitonin gene-related peptide 1
Type:Enzyme
Mol. Mass.:13902.80
Organism:Homo sapiens (Human)
Description:P06881
Residue:128
Sequence:
MGFQKFSPFLALSILVLLQAGSLHAAPFRSALESSPADPATLSEDEARLLLAALVQNYVQ
MKASELEQEQEREGSRIIAQKRACDTATCVTHRLAGLLSRSGGVVKNNFVPTNVGSKAFG
RRRRDLQA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50246689
NameBDBM50246689
Synonyms:Ac-VTHRLAGLLSRSGGVVRKNFVPTDVGPFAF-NH2 | CHEMBL510807
TypeSmall organic molecule
Emp. Form.C148H236N44O38
Mol. Mass.3239.7294
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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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:170.172,199.203,214.219,50.51,78.78,103.103,117.117,64.64,36.43,137.137,171.175,185.187,17.21,wD:12.12,156.157,166.169,58.60,89.89,46.47,4.4,110.110,128.128,72.72,145.145,177.179,25.32,203.206,219.223,(22.87,-44.4,;22.86,-42.86,;24.19,-42.08,;21.52,-42.1,;21.51,-40.56,;20.17,-39.8,;18.84,-40.57,;18.84,-42.11,;17.5,-39.81,;16.18,-40.59,;14.85,-39.8,;14.84,-38.26,;13.52,-40.58,;13.53,-42.11,;12.17,-39.83,;10.84,-40.6,;10.84,-42.13,;9.5,-39.83,;9.49,-38.3,;10.82,-37.52,;10.81,-35.98,;12.16,-38.28,;8.17,-40.6,;6.83,-39.84,;6.83,-38.3,;5.51,-40.61,;5.51,-42.15,;6.85,-42.92,;6.86,-44.45,;8.18,-45.24,;8.19,-46.78,;6.85,-47.57,;9.52,-47.55,;4.16,-39.86,;2.83,-40.63,;2.84,-42.17,;1.49,-39.87,;1.49,-38.32,;2.82,-37.55,;4.21,-38.16,;5.25,-37.03,;4.48,-35.7,;2.97,-36.02,;.17,-40.65,;-1.16,-39.87,;-1.17,-38.32,;-2.49,-40.64,;-3.84,-39.89,;-5.17,-40.66,;-5.17,-42.2,;-6.51,-39.9,;-7.83,-40.68,;-9.17,-39.92,;-10.49,-40.69,;-9.18,-38.38,;-6.52,-38.36,;-5.19,-37.58,;-7.86,-37.59,;-2.48,-42.18,;-3.81,-42.96,;-1.15,-42.96,;22.85,-39.78,;22.84,-38.24,;24.17,-40.56,;25.5,-39.78,;25.5,-38.24,;26.83,-37.47,;26.83,-35.93,;28.16,-38.23,;26.85,-40.54,;26.85,-42.08,;28.18,-39.77,;29.52,-40.52,;29.53,-42.06,;30.86,-42.83,;30.85,-39.74,;30.84,-38.21,;32.18,-40.52,;33.5,-39.74,;33.49,-38.2,;34.83,-37.43,;34.82,-35.89,;36.15,-35.12,;36.15,-33.58,;34.81,-32.82,;37.48,-32.8,;34.84,-40.51,;34.85,-42.04,;36.17,-39.73,;37.52,-40.48,;37.53,-42.02,;38.85,-42.8,;38.85,-39.7,;38.84,-38.17,;40.18,-40.49,;41.51,-39.71,;42.84,-40.47,;42.85,-42.01,;44.18,-39.7,;45.52,-40.45,;46.85,-39.67,;46.85,-38.13,;48.18,-40.45,;49.51,-39.68,;49.5,-38.15,;50.83,-37.37,;48.16,-37.38,;50.84,-40.45,;50.85,-41.99,;52.18,-39.67,;53.52,-40.42,;53.53,-41.95,;54.87,-42.72,;52.21,-42.73,;54.86,-39.64,;54.85,-38.1,;56.18,-40.42,;57.51,-39.65,;57.51,-38.11,;58.84,-37.34,;58.83,-35.79,;60.15,-35.02,;60.14,-33.49,;61.47,-32.71,;58.81,-32.73,;58.85,-40.41,;58.86,-41.95,;60.18,-39.64,;61.53,-40.39,;61.53,-41.93,;62.86,-42.69,;62.88,-44.22,;64.21,-44.98,;64.22,-46.52,;62.85,-39.61,;62.85,-38.07,;64.18,-40.39,;65.51,-39.62,;65.5,-38.08,;66.83,-37.3,;68.16,-38.08,;66.83,-35.76,;66.85,-40.38,;66.85,-41.92,;68.18,-39.6,;69.52,-40.36,;69.52,-41.9,;70.86,-42.67,;72.2,-41.9,;73.52,-42.66,;73.52,-44.19,;72.19,-44.95,;70.86,-44.19,;70.86,-39.59,;70.86,-38.05,;72.19,-40.36,;73.52,-39.59,;74.85,-40.36,;74.85,-41.9,;76.19,-39.59,;73.52,-38.05,;72.19,-37.28,;74.89,-37.35,;76.26,-38.04,;77.34,-36.96,;76.66,-35.58,;75.13,-35.82,;74.04,-34.73,;72.55,-35.13,;74.44,-33.25,;73.35,-32.16,;71.86,-32.56,;71.46,-34.05,;70.77,-31.47,;73.75,-30.67,;75.23,-30.27,;72.65,-29.59,;72.98,-28.08,;74.44,-27.61,;74.75,-26.1,;73.6,-25.08,;76.22,-25.62,;71.83,-27.06,;70.37,-27.54,;72.14,-25.55,;71,-24.53,;69.53,-25,;68.39,-23.98,;69.22,-26.51,;71.32,-23.02,;72.78,-22.54,;70.16,-22,;70.48,-20.49,;69.34,-19.47,;67.87,-19.94,;69.57,-18.11,;68.52,-17,;69.26,-15.65,;70.77,-15.94,;70.98,-17.48,;72.33,-18.2,;72.37,-19.74,;73.64,-17.39,;74.99,-18.13,;75.04,-19.67,;76.39,-20.4,;77.69,-19.6,;79.05,-20.33,;79.09,-21.87,;77.78,-22.67,;76.43,-21.94,;76.31,-17.33,;76.27,-15.79,;77.66,-18.06,;78.98,-17.25,;78.93,-15.72,;80.32,-17.99,;80.37,-19.53,;81.64,-17.18,;82.99,-17.92,;83.03,-19.46,;84.38,-20.18,;85.69,-19.38,;87.04,-20.11,;87.08,-21.65,;85.77,-22.45,;84.43,-21.72,;84.3,-17.11,;85.65,-17.85,;84.26,-15.57,)|
Structure
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