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Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50000742
Substrate
n/a
Meas. Tech.
ChEBML_42601
IC50
9±n/a nM
Citation
 Mimeault, M; Quirion, R; Dumont, Y; St-Pierre, S; Fournier, 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:
BDBM50000742
Synonyms:
CHEMBL2369452 | [His-Arg-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.:
C130H214N42O35
Mol. Mass.:
2925.3506
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](N)Cc1c[nH]cn1)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:93.93,55.55,72.72,109.109,125.125,157.159,25.32,196.198,4.4,182.184,12.12,wD:150.152,146.149,136.137,117.117,176.178,47.47,17.21,100.100,61.61,165.167,86.86,36.36,151.155,191.194,(-50.88,-5.88,;-50.84,-7.28,;-49.4,-8.04,;-52.15,-8.05,;-52.17,-9.51,;-53.59,-10.21,;-54.97,-9.56,;-54.96,-8.07,;-56.37,-10.27,;-57.78,-9.58,;-59.09,-10.31,;-59.07,-11.79,;-60.54,-9.56,;-60.56,-8.19,;-61.88,-10.32,;-63.33,-9.63,;-63.36,-8.19,;-64.71,-10.33,;-64.68,-11.84,;-63.22,-12.52,;-61.89,-11.8,;-63.22,-13.99,;-66.08,-9.68,;-67.48,-10.4,;-67.46,-11.87,;-68.87,-9.7,;-68.9,-8.22,;-67.53,-7.5,;-67.57,-6.07,;-66.18,-5.32,;-66.22,-3.83,;-64.82,-3.11,;-67.68,-3.12,;-70.25,-10.45,;-71.7,-9.7,;-71.72,-8.27,;-73.05,-10.47,;-74.47,-9.77,;-73.05,-11.91,;-73.89,-13.14,;-73.24,-14.55,;-74.47,-15.48,;-75.79,-14.7,;-75.45,-13.29,;-50.82,-10.21,;-50.78,-11.73,;-49.35,-9.49,;-47.93,-10.19,;-47.93,-11.63,;-46.53,-12.39,;-46.51,-13.79,;-45.14,-11.61,;-46.62,-9.47,;-46.6,-8,;-45.18,-10.18,;-43.82,-9.46,;-43.86,-7.95,;-42.47,-7.23,;-42.41,-10.1,;-42.36,-11.59,;-41.04,-9.35,;-39.64,-10.11,;-39.61,-11.56,;-38.15,-12.28,;-38.12,-13.71,;-36.77,-14.42,;-36.73,-15.9,;-35.31,-16.64,;-38.05,-16.64,;-38.22,-9.34,;-38.26,-7.88,;-36.84,-10.05,;-35.44,-9.35,;-35.49,-7.87,;-34.07,-7.16,;-34.02,-10.05,;-33.99,-11.49,;-32.65,-9.3,;-31.24,-10.03,;-29.92,-9.26,;-29.9,-7.85,;-28.46,-10,;-27.03,-9.27,;-25.64,-9.95,;-25.66,-11.44,;-24.28,-9.23,;-22.86,-9.96,;-22.86,-11.39,;-24.19,-12.12,;-21.44,-12.09,;-21.51,-9.18,;-21.54,-7.74,;-20.07,-9.93,;-18.69,-9.16,;-18.76,-7.72,;-17.39,-6.97,;-20.16,-6.97,;-17.3,-9.89,;-17.25,-11.31,;-15.96,-9.16,;-14.56,-9.86,;-14.56,-11.35,;-13.17,-12.05,;-13.16,-13.54,;-11.82,-14.29,;-11.82,-15.76,;-13.15,-9.16,;-13.15,-7.67,;-11.81,-9.88,;-10.41,-9.18,;-10.41,-7.67,;-9.03,-6.97,;-8.95,-5.44,;-7.73,-7.81,;-9.03,-9.89,;-9.03,-11.37,;-7.66,-9.19,;-6.24,-9.9,;-6.26,-11.38,;-4.91,-12.08,;-4.85,-13.61,;-3.61,-11.26,;-4.91,-9.19,;-4.89,-7.7,;-3.44,-9.93,;-2.12,-9.2,;-2.12,-7.7,;-.71,-7,;.68,-7.7,;2.1,-7.01,;2.1,-5.53,;.7,-4.82,;-.71,-5.53,;-.72,-9.93,;-.72,-11.4,;.68,-9.21,;2.08,-9.95,;2.08,-11.4,;3.42,-12.15,;.68,-12.1,;3.43,-9.23,;3.43,-7.72,;4.83,-9.96,;4.97,-11.42,;6.58,-11.75,;7.37,-10.45,;6.32,-9.37,;6.62,-7.91,;5.44,-6.9,;8.16,-7.46,;9.65,-8.01,;9.88,-9.41,;8.67,-10.38,;11.39,-9.96,;10.91,-7.07,;10.62,-5.65,;12.4,-7.58,;13.64,-6.67,;13.31,-5.2,;14.14,-3.95,;13.33,-2.68,;15.73,-3.92,;15.1,-7.18,;15.35,-8.64,;16.36,-6.24,;17.88,-6.73,;18.11,-8.21,;19.6,-8.74,;16.89,-9.19,;19.09,-5.85,;18.79,-4.39,;20.6,-6.37,;21.82,-5.43,;23.33,-5.94,;23.59,-7.39,;24.56,-5.03,;26.08,-5.58,;26.29,-6.95,;27.83,-7.5,;27.31,-4.64,;27,-3.18,;28.8,-5.17,;30.03,-4.18,;29.76,-2.73,;30.93,-1.73,;30.65,-.22,;31.83,.78,;31.55,2.3,;31.53,-4.69,;31.74,-6.16,;32.78,-3.78,;34.23,-4.29,;34.53,-5.79,;35.47,-3.36,;35.24,-1.85,;36.98,-3.96,;38.23,-2.99,;37.94,-1.45,;38.33,.04,;39.83,.43,;40.22,1.93,;39.13,3.02,;37.63,2.6,;37.24,1.12,;39.69,-3.48,;40.92,-2.52,;39.94,-4.95,)|
Structure:
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