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TargetPituitary adenylate cyclase-activating polypeptide type I receptor
LigandBDBM50250046
Substrate/Competitorn/a
Meas. Tech.ChEMBL_498611 (CHEMBL966957)
IC50 9.4±n/a nM
Citation Bourgault, S; Vaudry, D; Ségalas-Milazzo, I; Guilhaudis, L; Couvineau, A; Laburthe, M; Vaudry, H; Fournier, A Molecular and conformational determinants of pituitary adenylate cyclase-activating polypeptide (PACAP) for activation of the PAC1 receptor. J Med Chem52:3308-16 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pituitary adenylate cyclase-activating polypeptide type I receptor
Name:Pituitary adenylate cyclase-activating polypeptide type I receptor
Synonyms:ADCYAP1R1 | PACR_HUMAN
Type:PROTEIN
Mol. Mass.:53307.50
Organism:Homo sapiens (Human)
Description:ChEMBL_498617
Residue:468
Sequence:
MAGVVHVSLAALLLLPMAPAMHSDCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDN
ITCWKPAHVGEMVLVSCPELFRIFNPDQVWETETIGESDFGDSNSLDLSDMGVVSRNCTE
DGWSEPFPHYFDACGFDEYESETGDQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRK
LHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSN
YFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMN
DSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIP
LFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSWKV
NRYFAVDFKHRHPSLASSGVNGGTQLSILSKSSSQIRMSGLPADNLAT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50250046
n/a
NameBDBM50250046
Synonyms:CHEMBL525258 | [N-Me-Ser2]PACAP27
TypeSmall organic molecule
Emp. Form.C143H226N40O39S
Mol. Mass.3161.634
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)N(C)C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:27.27,12.16,4.4,49.50,50.53,64.65,82.84,99.101,122.125,140.143,153.156,169.172,190.194,203.208,215.219,wD:20.22,2.2,38.38,56.57,70.71,88.90,111.114,131.134,148.152,160.163,178.181,198.203,208.212,(5.91,-52.45,;5.93,-53.99,;7.27,-54.74,;8.6,-53.96,;7.29,-56.28,;5.96,-57.07,;4.62,-56.31,;4.6,-54.77,;3.29,-57.09,;1.95,-56.34,;.63,-57.12,;.64,-58.66,;-.71,-56.36,;-.73,-54.82,;.6,-54.04,;1.94,-54.8,;.58,-52.5,;-2.04,-57.15,;-3.38,-56.39,;-3.4,-54.85,;-4.71,-57.18,;-4.69,-58.72,;-3.35,-59.47,;-6.05,-56.42,;-6.06,-54.88,;-7.37,-57.2,;-7.36,-58.74,;-8.72,-56.45,;-10.04,-57.23,;-8.73,-54.91,;-9.96,-53.97,;-9.93,-52.42,;-11.38,-51.91,;-12.32,-53.14,;-11.44,-54.41,;8.63,-57.04,;8.64,-58.58,;9.95,-56.26,;11.3,-57.01,;11.31,-58.55,;12.65,-59.31,;13.98,-58.52,;15.33,-59.28,;15.34,-60.83,;14.01,-61.61,;12.67,-60.85,;12.62,-56.23,;12.61,-54.69,;13.96,-56.99,;15.29,-56.2,;15.27,-54.66,;13.93,-53.91,;16.6,-53.88,;16.63,-56.96,;16.65,-58.5,;17.96,-56.17,;19.3,-56.93,;19.31,-58.47,;20.65,-59.23,;21.98,-58.44,;20.67,-60.77,;20.62,-56.15,;20.61,-54.61,;21.96,-56.9,;23.29,-56.12,;23.27,-54.58,;24.6,-53.8,;24.63,-56.88,;24.65,-58.42,;25.96,-56.09,;27.3,-56.85,;27.31,-58.39,;28.66,-59.15,;29.99,-58.36,;31.33,-59.12,;31.35,-60.66,;32.69,-61.42,;30.02,-61.45,;28.67,-60.69,;28.62,-56.07,;28.61,-54.53,;29.97,-56.82,;31.29,-56.04,;31.28,-54.5,;32.6,-53.72,;32.63,-56.8,;32.65,-58.34,;33.96,-56.01,;35.3,-56.77,;35.32,-58.31,;36.66,-59.06,;36.67,-60.6,;38.01,-61.36,;38.03,-62.9,;36.7,-63.68,;39.37,-63.66,;36.63,-55.98,;36.61,-54.45,;37.97,-56.74,;39.29,-55.96,;39.28,-54.42,;40.6,-53.63,;41.95,-54.39,;43.28,-53.61,;43.26,-52.06,;44.59,-51.28,;41.92,-51.3,;40.59,-52.09,;40.63,-56.71,;40.65,-58.25,;41.96,-55.93,;43.3,-56.69,;43.32,-58.23,;44.66,-58.98,;44.67,-60.52,;46.02,-61.28,;46.03,-62.82,;44.7,-63.6,;47.37,-63.58,;44.63,-55.9,;44.61,-54.36,;45.97,-56.66,;47.29,-55.88,;47.28,-54.34,;48.6,-53.55,;48.59,-52.01,;49.91,-51.23,;49.9,-49.69,;48.64,-56.63,;48.65,-58.17,;49.96,-55.85,;51.3,-56.61,;51.32,-58.15,;52.66,-58.9,;52.68,-60.44,;51.35,-61.23,;54.02,-61.2,;52.63,-55.82,;52.61,-54.28,;53.97,-56.58,;55.3,-55.8,;55.28,-54.26,;56.61,-53.47,;56.59,-51.93,;57.92,-51.15,;56.64,-56.55,;56.65,-58.09,;57.96,-55.77,;59.3,-56.52,;59.32,-58.06,;60.63,-55.74,;60.61,-54.2,;61.97,-56.5,;63.3,-55.71,;63.28,-54.17,;64.61,-53.39,;61.94,-53.42,;64.64,-56.47,;64.65,-58.01,;65.96,-55.69,;67.31,-56.44,;67.32,-57.98,;68.66,-58.74,;68.68,-60.28,;70.02,-61.04,;70.04,-62.58,;68.63,-55.66,;68.62,-54.12,;69.97,-56.42,;71.3,-55.63,;71.28,-54.09,;72.61,-53.31,;72.59,-51.77,;73.92,-50.99,;73.9,-49.45,;72.64,-56.39,;72.66,-57.93,;73.97,-55.61,;75.31,-56.36,;75.32,-57.9,;76.66,-58.66,;77.99,-57.87,;79.34,-58.63,;79.36,-60.18,;80.7,-60.93,;78.03,-60.96,;76.68,-60.2,;76.63,-55.58,;76.62,-54.04,;77.97,-56.33,;79.3,-55.55,;79.28,-54.01,;80.61,-53.23,;80.59,-51.69,;81.95,-53.98,;80.64,-56.31,;80.66,-57.85,;81.97,-55.52,;83.31,-56.28,;83.32,-57.82,;84.63,-55.5,;84.62,-53.96,;85.98,-56.25,;87.3,-55.47,;87.29,-53.93,;88.64,-56.23,;88.66,-57.77,;89.97,-55.44,;91.31,-56.2,;91.33,-57.74,;92.67,-58.49,;90,-58.52,;92.64,-55.42,;92.62,-53.88,;93.98,-56.17,;95.3,-55.39,;95.29,-53.85,;96.61,-53.06,;96.6,-51.52,;97.95,-53.82,;96.64,-56.14,;97.97,-55.36,;96.66,-57.68,)|
Structure
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