Target
Vasoactive intestinal polypeptide receptor 2
Ligand
BDBM85881
Substrate
n/a
Ki
40.7±n/a nM
Comments
PDSP_2136
Citation
 Igarashi, HIto, TPradhan, TKMantey, SAHou, WCoy, DHJensen, RT Elucidation of the vasoactive intestinal peptide pharmacophore for VPAC(2) receptors in human and rat and comparison to the pharmacophore for VPAC(1) receptors. J Pharmacol Exp Ther 303:445-60 (2002) [PubMed]  Article 
Target
Name:
Vasoactive intestinal polypeptide receptor 2
Synonyms:
VIP 2 | VIP2R | VIPR2 | VIPR2_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49488.30
Organism:
Homo sapiens (Human)
Description:
VIP 2 VIPR2 HUMAN::P41587
Residue:
438
Sequence:
MRTLLPPALLTCWLLAPVNSIHPECRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPEDESKITFYILVKAIYTLGYSVSLMSLATGSIILCLFRKLHCTRNYIHLNLFLSFILRAISVLVKDDVLYSSSGTLHCPDQPSSWVGCKLSLVFLQYCIMANFFWLLVEGLYLHTLLVAMLPPRRCFLAYLLIGWGLPTVCIGAWTAARLYLEDTGCWDTNDHSVPWWVIRIPILISIIVNFVLFISIIRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAVFPISISSKYQILFELCLGSFQGLVVAVLYCFLNSEVQCELKRKWRSRCPTPSASRDYRVCGSSFSRNGSEGALQFHRGSRAQSFLQTETSVI
  
Inhibitor
Name:
BDBM85881
Synonyms:
VIP Ala15
Type:
Small organic molecule
Emp. Form.:
C144H231N43O42S
Mol. Mass.:
3268.703
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,wU:168.171,153.155,177.184,202.207,137.143,191.194,205.210,102.107,86.87,69.74,60.61,42.48,22.26,8.10,214.217,wD:157.167,172.175,145.151,185.190,125.135,110.118,91.99,77.83,64.65,51.57,30.39,14.18,4.4,2.2,222.225,(46.67,-5.01,;46.72,-3.48,;45.37,-2.7,;44.02,-3.44,;45.41,-1.13,;44.11,-.35,;42.75,-1.05,;42.75,-2.66,;41.45,-.31,;41.49,1.18,;42.84,1.92,;40.1,-1,;38.75,-.17,;38.79,1.22,;37.4,-.96,;37.35,-2.53,;38.7,-3.31,;40.05,-2.61,;38.66,-4.88,;36.09,-.13,;34.74,-.92,;34.74,-2.48,;33.43,-.09,;33.48,1.35,;34.83,2.09,;34.87,3.66,;36.09,1.26,;32.08,-.83,;30.73,-.04,;30.78,1.44,;29.38,-.78,;29.34,-2.35,;30.69,-3.14,;30.65,-4.7,;32,-5.53,;33.35,-4.75,;34.65,-5.58,;33.39,-3.22,;32.04,-2.44,;28.12,-.04,;26.72,-.74,;26.72,-2.31,;25.42,-0,;25.46,1.57,;26.81,2.27,;26.81,3.83,;28.21,4.57,;28.21,6.1,;24.07,-.7,;22.72,.04,;22.76,1.57,;21.41,-.65,;21.41,-2.22,;22.72,-3.01,;22.67,-4.57,;24.02,-5.36,;23.98,-6.93,;20.1,.09,;18.75,-.61,;18.71,-2.22,;17.4,.09,;16.05,-.61,;14.75,.13,;14.79,1.7,;13.4,-.57,;13.4,-2.13,;12.09,.17,;10.74,-.52,;10.69,-2.09,;9.39,.22,;9.39,1.74,;10.78,2.48,;10.78,4.01,;12.13,4.79,;7.99,-.48,;6.69,.22,;6.73,1.79,;5.34,-.48,;5.34,-2.05,;6.69,-2.83,;6.64,-4.36,;7.95,-5.14,;5.29,-5.1,;4.03,.26,;2.68,-.44,;2.64,-2,;1.33,.31,;1.33,1.83,;.02,-.39,;-1.24,.31,;-1.2,1.83,;-2.55,-.39,;-2.59,-2,;-1.24,-2.74,;-1.24,-4.27,;.02,-5.05,;.02,-6.58,;-1.24,-7.36,;1.33,-7.41,;-3.9,.31,;-5.25,-.39,;-5.25,-1.96,;-6.55,.31,;-6.55,1.87,;-5.25,2.61,;-5.25,4.14,;-3.9,1.87,;-7.91,-.39,;-9.26,.35,;-9.21,1.87,;-10.56,-.39,;-10.61,-1.96,;-9.26,-2.7,;-9.26,-4.27,;-7.91,-5.01,;-7.91,-6.58,;-9.26,-7.36,;-6.6,-7.36,;-11.91,.35,;-13.22,-.35,;-13.22,-1.96,;-14.57,.35,;-15.92,-.35,;-17.27,.35,;-17.23,1.92,;-18.62,-.35,;-18.62,-1.87,;-17.27,-2.7,;-17.27,-4.23,;-15.92,-4.97,;-14.57,-4.23,;-13.26,-5.01,;-14.57,-2.7,;-15.92,-1.96,;-19.93,.35,;-21.24,-.35,;-21.24,-1.87,;-22.59,.39,;-22.59,1.92,;-21.24,2.66,;-19.93,1.92,;-21.24,4.23,;-23.94,-.31,;-25.29,.39,;-25.29,1.92,;-26.64,-.31,;-26.64,-1.87,;-25.29,-2.66,;-23.94,-1.87,;-25.29,-4.18,;-27.9,.39,;-29.25,-.31,;-29.25,-1.83,;-30.6,.39,;-31.95,-.31,;-33.3,.44,;-33.3,1.96,;-34.61,-.31,;-34.61,-1.83,;-33.3,-2.61,;-33.3,-4.18,;-31.95,-4.92,;-30.6,-4.18,;-30.6,-2.66,;-31.95,-1.83,;-35.92,.44,;-37.27,-.22,;-37.27,-2,;-38.75,.52,;-40.23,-.22,;-41.53,.44,;-41.53,2,;-42.84,-.22,;-42.84,-1.79,;-44.19,.44,;-45.54,-.22,;-45.54,-1.79,;-46.89,.48,;-46.89,2,;-45.54,2.74,;-45.54,4.31,;-44.21,1.97,;-48.24,-.17,;-49.51,.48,;-49.51,2,;-50.86,-.17,;-50.86,-1.71,;-49.52,-2.48,;-52.16,.48,;-53.47,-.17,;-53.47,-1.79,;-54.82,.48,;-56.13,-.17,;-54.82,2.05,;-56.15,2.82,;-57.64,2.42,;-58.48,3.71,;-57.51,4.91,;-56.07,4.35,;-38.75,2.06,;-37.41,2.83,;-39.84,3.15,;-30.6,1.96,;-31.95,2.7,;-29.25,2.7,;-14.57,1.87,;-15.92,2.66,;-13.22,2.66,;17.45,1.66,;16.1,2.4,;18.8,2.4,;46.76,-.39,;46.81,1.05,;48.11,-1.18,;49.46,-.44,;49.51,1,;50.81,1.79,;50.86,3.31,;52.12,.96,;50.73,-1.22,;50.73,-2.83,;52.12,-.52,;53.43,-1.31,;53.38,-2.87,;54.73,-3.7,;56.08,-2.92,;54.69,-5.23,;54.78,-.57,;56.13,-1.35,;54.82,.92,)|
Structure:
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