Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50453179
Substrate
n/a
Meas. Tech.
ChEMBL_42600 (CHEMBL655828)
IC50
2.3±n/a nM
Citation
 Mimeault, MQuirion, RDumont, YSt-Pierre, SFournier, A Structure-activity study of hCGRP8-37, a calcitonin gene-related peptide receptor antagonist. J Med Chem 35:2163-8 (1992) [PubMed]  Article 
Target
Name:
Calcitonin gene-related peptide type 1 receptor
Synonyms:
Adrenomedullin receptor AM1; CALCRL/RAMP2 | CALCRL | CALRL_HUMAN | CGRP type 1 receptor | CGRP type 1 receptor mRNA | CGRPR | Calcitonin gene-related peptide (CGRP) receptor | Calcitonin gene-related peptide 1 (CGRP) | Calcitonin receptor-like receptor | Calcitonin receptor-like receptor (CLR) | Human CL receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52980.45
Organism:
Homo sapiens (Human)
Description:
Q16602
Residue:
461
Sequence:
MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
  
Inhibitor
Name:
BDBM50453179
Synonyms:
CHEMBL2369463
Type:
Small organic molecule
Emp. Form.:
C134H221N43O37
Mol. Mass.:
3026.4544
SMILES:
CC(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](Cc1c[nH]cn1)NC(=O)[C@@H](N)[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(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:100.100,62.62,79.79,116.116,132.132,164.166,25.32,203.205,4.4,189.191,46.47,48.50,12.12,wD:157.159,153.156,143.144,36.43,124.124,183.185,54.54,17.21,107.107,68.68,172.174,93.93,158.162,198.201,(14.99,-5.75,;15.04,-7.15,;16.46,-7.91,;13.73,-7.92,;13.71,-9.38,;12.28,-10.08,;10.9,-9.43,;10.92,-7.94,;9.5,-10.14,;8.1,-9.45,;6.78,-10.18,;6.8,-11.66,;5.34,-9.43,;5.33,-8.06,;4.01,-10.19,;2.56,-9.5,;2.52,-8.06,;1.17,-10.2,;1.19,-11.71,;2.66,-12.39,;4,-11.66,;2.68,-13.85,;-.2,-9.55,;-1.6,-10.27,;-1.57,-11.73,;-2.97,-9.57,;-3.02,-8.1,;-1.63,-7.38,;-1.69,-5.94,;-.29,-5.2,;-.34,-3.71,;1.08,-2.99,;-1.78,-3,;-4.34,-10.32,;-5.79,-9.57,;-5.83,-8.14,;-7.14,-10.34,;-7.14,-11.78,;-8,-13.01,;-7.34,-14.41,;-8.56,-15.34,;-9.88,-14.56,;-9.55,-13.15,;-8.56,-9.64,;-9.93,-10.36,;-9.93,-11.78,;-11.36,-9.66,;-12.69,-10.38,;-11.4,-8.24,;-12.78,-7.52,;-10.02,-7.45,;15.05,-10.08,;15.08,-11.59,;16.5,-9.36,;17.94,-10.06,;17.92,-11.49,;19.34,-12.26,;19.34,-13.66,;20.73,-11.48,;19.25,-9.34,;19.27,-7.87,;20.69,-10.05,;22.04,-9.33,;22.01,-7.83,;23.39,-7.1,;23.45,-9.97,;23.48,-11.45,;24.83,-9.22,;26.21,-9.98,;26.25,-11.42,;27.71,-12.15,;27.72,-13.57,;29.07,-14.29,;29.13,-15.76,;30.55,-16.5,;27.81,-16.5,;27.64,-9.21,;27.58,-7.76,;29.01,-9.92,;30.42,-9.22,;30.36,-7.75,;31.77,-7.03,;31.81,-9.92,;31.86,-11.35,;33.19,-9.17,;34.61,-9.9,;35.93,-9.13,;35.95,-7.72,;37.37,-9.87,;38.79,-9.14,;40.19,-9.82,;40.18,-11.31,;41.54,-9.1,;42.97,-9.83,;42.96,-11.26,;41.65,-11.99,;44.38,-11.96,;44.31,-9.05,;44.3,-7.62,;45.77,-9.8,;47.12,-9.03,;47.08,-7.59,;48.43,-6.85,;45.66,-6.85,;48.52,-9.76,;48.57,-11.18,;49.87,-9.04,;51.26,-9.73,;51.26,-11.22,;52.65,-11.92,;52.66,-13.41,;53.99,-14.15,;53.99,-15.62,;52.66,-9.04,;52.68,-7.54,;54.01,-9.75,;55.41,-9.05,;55.42,-7.55,;56.79,-6.85,;56.87,-5.31,;58.08,-7.69,;56.78,-9.76,;56.79,-11.24,;58.15,-9.06,;59.57,-9.77,;59.55,-11.25,;60.91,-11.94,;60.97,-13.48,;62.2,-11.13,;60.91,-9.06,;60.92,-7.57,;62.36,-9.8,;63.69,-9.07,;63.69,-7.57,;65.08,-6.87,;66.5,-7.57,;67.9,-6.89,;67.9,-5.41,;66.5,-4.7,;65.1,-5.41,;65.08,-9.8,;65.08,-11.27,;66.48,-9.08,;67.88,-9.82,;67.88,-11.27,;69.23,-12.01,;66.48,-11.97,;69.23,-9.1,;69.24,-7.59,;70.64,-9.83,;70.76,-11.28,;72.38,-11.62,;73.16,-10.32,;72.11,-9.24,;72.41,-7.78,;71.24,-6.78,;73.96,-7.33,;75.44,-7.89,;75.67,-9.28,;74.46,-10.25,;77.18,-9.83,;76.71,-6.94,;76.42,-5.52,;78.18,-7.45,;79.43,-6.55,;79.11,-5.08,;79.93,-3.82,;79.11,-2.56,;81.51,-3.8,;80.88,-7.06,;81.14,-8.52,;82.15,-6.12,;83.65,-6.61,;83.9,-8.08,;85.37,-8.61,;82.67,-9.06,;84.88,-5.72,;84.57,-4.27,;86.37,-6.24,;87.6,-5.3,;89.1,-5.82,;89.37,-7.27,;90.34,-4.91,;91.84,-5.45,;92.07,-6.82,;93.6,-7.38,;93.07,-4.51,;92.77,-3.06,;94.56,-5.05,;95.8,-4.06,;95.52,-2.61,;96.7,-1.61,;96.42,-.1,;97.59,.9,;97.31,2.41,;97.3,-4.57,;97.51,-6.03,;98.54,-3.66,;99.98,-4.17,;100.29,-5.66,;101.23,-3.24,;101,-1.73,;102.73,-3.84,;103.99,-2.87,;103.68,-1.33,;104.08,.16,;105.57,.55,;105.96,2.04,;104.87,3.13,;103.38,2.71,;102.99,1.23,;105.43,-3.36,;106.68,-2.4,;105.7,-4.82,)|
Structure:
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