Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50000746
Substrate
n/a
Meas. Tech.
ChEBML_42601
IC50
15±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:
BDBM50000746
Synonyms:
CHEMBL2369457 | [Val-Thr-His-Ala-Leu-Ala-Gly-Leu-Leu-Ser-Arg-Ser-Gly-Gly-Val-Val-Lys-Asn-Asn-Phe-Val-Pro-Thr-Asn-Val-Gly-Ser-Lys-Ala-Phe-NH2] hCG
Type:
Small organic molecule
Emp. Form.:
C136H224N44O38
Mol. Mass.:
3083.5058
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)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(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:43.44,104.104,66.66,83.83,120.120,136.136,168.170,22.29,207.209,4.4,193.195,52.54,12.12,wD:161.163,157.160,147.148,33.40,128.128,187.189,58.58,111.111,72.72,176.178,97.97,47.48,162.166,17.17,202.205,(-38.44,-3.74,;-38.4,-5.14,;-36.97,-5.9,;-39.7,-5.93,;-39.73,-7.39,;-41.15,-8.07,;-42.54,-7.42,;-42.52,-5.93,;-43.94,-8.14,;-45.34,-7.44,;-46.66,-8.17,;-46.64,-9.66,;-48.12,-7.44,;-48.12,-6.06,;-49.45,-8.19,;-50.89,-7.51,;-50.93,-6.04,;-52.28,-8.2,;-52.26,-9.7,;-53.66,-7.54,;-55.05,-8.27,;-55.03,-9.74,;-56.44,-7.58,;-56.48,-6.09,;-55.09,-5.37,;-55.15,-3.92,;-53.75,-3.18,;-53.8,-1.69,;-52.38,-.96,;-55.24,-.99,;-57.81,-8.32,;-59.26,-7.56,;-59.3,-6.14,;-60.61,-8.34,;-60.61,-9.77,;-61.46,-11.01,;-60.82,-12.41,;-62.03,-13.36,;-63.36,-12.57,;-63.01,-11.16,;-62.03,-7.63,;-63.4,-8.35,;-63.4,-9.79,;-64.85,-7.65,;-66.18,-8.38,;-67.63,-7.7,;-67.67,-6.23,;-69,-8.42,;-70.44,-7.7,;-68.99,-9.86,;-67.56,-10.58,;-70.33,-10.61,;-64.88,-6.23,;-66.27,-5.51,;-63.5,-5.44,;-38.37,-8.09,;-38.34,-9.59,;-36.92,-7.37,;-35.48,-8.05,;-35.5,-9.49,;-34.08,-10.26,;-32.69,-9.47,;-34.06,-11.66,;-34.18,-7.34,;-34.15,-5.86,;-32.73,-8.05,;-31.38,-7.33,;-31.4,-5.81,;-30.03,-5.09,;-29.96,-7.97,;-29.93,-9.46,;-28.58,-7.23,;-27.21,-7.98,;-27.16,-9.42,;-25.69,-10.15,;-25.69,-11.57,;-24.33,-12.29,;-24.27,-13.78,;-22.85,-14.51,;-25.6,-14.52,;-25.76,-7.21,;-25.83,-5.74,;-24.39,-7.91,;-22.99,-7.21,;-23.04,-5.74,;-21.63,-5.03,;-21.57,-7.91,;-21.54,-9.35,;-20.22,-7.16,;-18.79,-7.9,;-17.47,-7.13,;-17.44,-5.72,;-16.01,-7.86,;-14.6,-7.14,;-13.2,-7.82,;-13.2,-9.31,;-11.83,-7.09,;-10.41,-7.82,;-10.43,-9.26,;-9.01,-9.96,;-11.73,-10,;-9.07,-7.05,;-9.08,-5.62,;-7.61,-7.79,;-6.26,-7.02,;-6.31,-5.58,;-4.94,-4.83,;-7.73,-4.83,;-4.85,-7.75,;-4.8,-9.18,;-3.51,-7.02,;-2.11,-7.74,;-2.11,-9.21,;-.71,-9.93,;-.71,-11.41,;.63,-12.17,;.63,-13.64,;-.7,-7.04,;-.69,-5.53,;.64,-7.75,;2.05,-7.05,;2.06,-5.55,;3.43,-4.83,;3.5,-3.31,;4.73,-5.67,;3.43,-7.76,;3.43,-9.24,;4.8,-7.05,;6.21,-7.77,;6.2,-9.25,;7.56,-9.95,;7.61,-11.49,;8.84,-9.14,;7.56,-7.06,;7.56,-5.56,;9.02,-7.79,;10.33,-7.07,;10.33,-5.57,;11.43,-4.48,;12.92,-4.86,;13.99,-3.76,;13.59,-2.27,;12.08,-1.9,;11.01,-2.99,;11.73,-7.81,;11.73,-9.26,;13.15,-7.07,;14.54,-7.82,;14.54,-9.28,;13.13,-9.98,;15.88,-10.01,;15.9,-7.09,;15.9,-5.58,;17.3,-7.82,;17.43,-9.28,;19.05,-9.61,;19.84,-8.32,;18.79,-7.23,;19.09,-5.78,;17.91,-4.78,;20.64,-5.32,;22.1,-5.88,;22.34,-7.28,;21.13,-8.24,;23.85,-7.82,;23.39,-4.93,;23.08,-3.52,;24.87,-5.44,;26.11,-4.53,;25.79,-3.08,;26.6,-1.8,;25.79,-.54,;28.19,-1.79,;27.56,-5.04,;27.81,-6.51,;28.84,-4.11,;30.35,-4.6,;30.59,-6.08,;32.07,-6.6,;29.35,-7.06,;31.57,-3.71,;31.26,-2.26,;33.07,-4.23,;34.29,-3.29,;35.8,-3.81,;36.07,-5.27,;37.04,-2.9,;38.55,-3.43,;38.77,-4.81,;40.31,-5.37,;39.77,-2.5,;39.47,-1.03,;41.28,-3.04,;42.5,-2.04,;42.24,-.59,;43.41,.41,;43.13,1.93,;44.29,2.91,;44.01,4.43,;44.01,-2.56,;44.22,-4.02,;45.25,-1.64,;46.71,-2.17,;47,-3.64,;47.95,-1.24,;47.72,.3,;49.46,-1.83,;50.7,-.86,;50.42,.69,;50.81,2.18,;52.29,2.58,;52.7,4.07,;51.59,5.17,;50.11,4.75,;49.72,3.26,;52.16,-1.35,;53.41,-.38,;52.43,-2.8,)|
Structure:
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