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TargetPituitary adenylate cyclase-activating polypeptide type I receptor
LigandBDBM50250032
Substrate/Competitorn/a
Meas. Tech.ChEMBL_498611 (CHEMBL966957)
IC50 10.8±n/a nM
Citation Bourgault, SVaudry, DSégalas-Milazzo, IGuilhaudis, LCouvineau, ALaburthe, MVaudry, HFournier, 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:
BDBM50250032
n/a
NameBDBM50250032
Synonyms:CHEMBL445530 | [Ala7]PACAP27
TypeSmall organic molecule
Emp. Form.C141H222N40O38S
Mol. Mass.3117.582
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)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:26.26,12.16,4.4,61.62,79.81,96.98,119.122,137.140,150.153,166.169,187.191,200.205,212.216,48.50,wD:20.22,2.2,37.37,53.54,67.68,85.87,108.111,128.131,145.149,157.160,175.178,195.200,205.209,(2.22,2.85,;2.22,1.31,;3.55,.54,;4.88,1.31,;3.55,-1,;2.22,-1.77,;.88,-1,;.88,.54,;-.45,-1.77,;-1.78,-1,;-3.12,-1.77,;-3.12,-3.31,;-4.45,-1,;-4.45,.54,;-3.12,1.31,;-1.78,.54,;-3.12,2.85,;-5.79,-1.77,;-7.12,-1,;-7.12,.54,;-8.45,-1.77,;-8.45,-3.31,;-7.12,-4.08,;-9.79,-1,;-11.12,-1.77,;-11.12,-3.31,;-12.45,-1,;-13.79,-1.77,;-12.45,.54,;-11.12,1.31,;-9.71,.68,;-8.68,1.83,;-9.45,3.17,;-10.96,2.85,;4.88,-1.77,;4.88,-3.31,;6.22,-1,;7.55,-1.77,;7.55,-3.31,;8.88,-4.08,;10.22,-3.3,;11.56,-4.08,;11.56,-5.62,;10.22,-6.4,;8.88,-5.62,;8.88,-1,;8.88,.54,;10.22,-1.77,;11.55,-1,;11.55,.54,;12.89,-1.77,;12.89,-3.31,;14.22,-1,;15.55,-1.77,;15.55,-3.31,;16.89,-4.08,;18.22,-3.31,;16.89,-5.62,;16.89,-1,;16.89,.54,;18.22,-1.77,;19.55,-1,;19.55,.54,;20.89,1.31,;20.89,-1.77,;20.89,-3.31,;22.22,-1,;23.56,-1.77,;23.56,-3.31,;24.89,-4.08,;26.23,-3.3,;27.57,-4.08,;27.57,-5.62,;28.9,-6.39,;26.23,-6.4,;24.89,-5.62,;24.89,-1,;24.89,.54,;26.22,-1.77,;27.56,-1,;27.56,.54,;28.89,1.31,;28.89,-1.77,;28.89,-3.31,;30.22,-1,;31.56,-1.77,;31.56,-3.31,;32.89,-4.08,;32.89,-5.62,;34.23,-6.39,;34.23,-7.93,;32.89,-8.7,;35.56,-8.7,;32.89,-1,;32.89,.54,;34.23,-1.77,;35.56,-1,;35.56,.54,;36.89,1.31,;38.23,.54,;39.57,1.31,;39.57,2.86,;40.9,3.63,;38.23,3.63,;36.89,2.86,;36.89,-1.77,;36.89,-3.31,;38.23,-1,;39.56,-1.77,;39.56,-3.31,;40.89,-4.08,;40.89,-5.62,;42.23,-6.39,;42.23,-7.93,;40.89,-8.7,;43.56,-8.7,;40.89,-1,;40.89,.54,;42.23,-1.77,;43.56,-1,;43.56,.54,;44.9,1.31,;44.9,2.85,;46.23,3.62,;46.23,5.16,;44.9,-1.77,;44.9,-3.31,;46.23,-1,;47.56,-1.77,;47.56,-3.31,;48.9,-4.08,;48.9,-5.62,;47.56,-6.39,;50.23,-6.39,;48.9,-1,;48.9,.54,;50.23,-1.77,;51.56,-1,;51.56,.54,;52.9,1.31,;52.9,2.85,;54.23,3.62,;52.9,-1.77,;52.9,-3.31,;54.23,-1,;55.56,-1.77,;55.56,-3.31,;56.9,-1,;56.9,.54,;58.23,-1.77,;59.57,-1,;59.57,.54,;60.9,1.31,;58.23,1.31,;60.9,-1.77,;60.9,-3.31,;62.23,-1,;63.57,-1.77,;63.57,-3.31,;64.9,-4.08,;64.9,-5.62,;66.23,-6.39,;66.23,-7.93,;64.9,-1,;64.9,.54,;66.23,-1.77,;67.57,-1,;67.57,.54,;68.9,1.31,;68.9,2.85,;70.24,3.62,;70.24,5.16,;68.9,-1.77,;68.9,-3.31,;70.24,-1,;71.57,-1.77,;71.57,-3.31,;72.9,-4.08,;74.24,-3.3,;75.58,-4.08,;75.58,-5.62,;76.91,-6.39,;74.24,-6.4,;72.9,-5.62,;72.9,-1,;72.9,.54,;74.24,-1.77,;75.57,-1,;75.57,.54,;76.9,1.31,;76.9,2.85,;78.24,.54,;76.9,-1.77,;76.9,-3.31,;78.24,-1,;79.57,-1.77,;79.57,-3.31,;80.91,-1,;80.91,.54,;82.24,-1.77,;83.57,-1,;83.57,.54,;84.91,-1.77,;84.91,-3.31,;86.24,-1,;87.57,-1.77,;87.57,-3.31,;88.91,-4.08,;86.24,-4.08,;88.91,-1,;88.91,.54,;90.24,-1.77,;91.58,-1,;91.58,.54,;92.91,1.31,;92.91,2.85,;94.24,.54,;92.91,-1.77,;94.24,-1,;92.91,-3.31,)|
Structure
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