Target
Vasoactive intestinal polypeptide receptor 2
Ligand
BDBM85873
Substrate
n/a
Ki
3.5±n/a nM
Comments
PDSP_2124
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:
BDBM85873
Synonyms:
VIP Ala2
Type:
Small organic molecule
Emp. Form.:
C147H240N44O40S
Mol. Mass.:
3295.814
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](CCCCN)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](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)O)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:172.175,157.159,181.184,204.209,141.147,190.193,207.212,106.111,86.92,69.74,60.61,42.48,22.26,8.10,216.219,wD:161.171,176.179,149.155,129.139,114.122,95.103,77.83,64.65,51.57,30.39,14.18,4.4,2.2,224.227,185.188,(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,;2.68,2.57,;2.68,4.14,;4.07,4.92,;4.07,6.49,;.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,;-48.24,-.17,;-49.51,.48,;-49.51,2,;-50.86,-.17,;-50.86,-1.71,;-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,;-46.89,2,;-47.98,3.09,;-45.56,2.77,;-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:
Search PDB for entries with ligand similarity: