Reaction Details Report a problem with these data
Target
Vasoactive intestinal polypeptide receptor 1
Ligand
BDBM86051
Substrate
n/a
Ki
7.7±n/a nM
Comments
PDSP_3072
Citation
 Igarashi, H; Ito, T; Pradhan, TK; Mantey, SA; Hou, W; Coy, DH; Jensen, 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 1
Synonyms:
VIP 1 | VIPR1 | VIPR1_HUMAN | Vasoactive intestinal polypeptide receptor 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51557.18
Organism:
Homo sapiens (Human)
Description:
VIP 1 VIPR1 0::P32241
Residue:
457
Sequence:
MRPPSPLPARWLCVLAGALAWALGPAGGQAARLQEECDYVQMIEVQHKQCLEEAQLENETIGCSKMWDNLTCWPATPRGQVVVLACPLIFKLFSSIQGRNVSRSCTDEGWTHLEPGPYPIACGLDDKAASLDEQQTMFYGSVKTGYTIGYGLSLATLLVATAILSLFRKLHCTRNYIHMHLFISFILRAAAVFIKDLALFDSGESDQCSEGSVGCKAAMVFFQYCVMANFFWLLVEGLYLYTLLAVSFFSERKYFWGYILIGWGVPSTFTMVWTIARIHFEDYGCWDTINSSLWWIIKGPILTSILVNFILFICIIRILLQKLRPPDIRKSDSSPYSRLARSTLLLIPLFGVHYIMFAFFPDNFKPEVKMVFELVVGSFQGFVVAILYCFLNGEVQAELRRKWRRWHLQGVLGWNPKYRHPSGGSNGATCSTQVSMLTRVSPGARRSSSFQAEVSLV
  
Inhibitor
Name:
BDBM86051
Synonyms:
CAS_0 | NSC_0 | [Lys15, Arg16, Leu27]VIP(1-7)GRF(8-27)
Type:
Small organic molecule
Emp. Form.:
C144H244N44O38
Mol. Mass.:
3199.7502
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=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(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O |wU:122.129,109.109,92.97,72.76,61.61,25.29,4.4,218.220,164.173,179.181,192.196,wD:151.157,145.148,133.142,113.118,101.105,80.88,66.68,50.57,41.46,33.37,16.21,8.12,2.2,175.177,160.161,184.190,209.213,198.200,(-8.97,-.35,;-8.97,-1.85,;-7.67,-2.57,;-6.31,-1.78,;-7.63,-4.11,;-8.97,-4.99,;-10.28,-4.21,;-10.28,-2.68,;-11.69,-4.99,;-11.69,-6.66,;-10.26,-7.26,;-8.92,-6.45,;-10.26,-8.83,;-13.01,-4.3,;-14.31,-5.04,;-14.31,-6.66,;-15.65,-4.21,;-16.99,-4.99,;-16.99,-6.54,;-18.3,-7.26,;-19.67,-6.45,;-18.3,-8.81,;-15.65,-2.68,;-16.94,-1.94,;-18.28,-2.68,;-16.99,-.35,;-15.76,.37,;-15.76,1.8,;-14.4,2.63,;-17.03,2.59,;-18.3,.37,;-19.62,-.35,;-19.62,-1.94,;-21.03,.37,;-22.19,-.35,;-22.19,-1.99,;-23.41,-2.84,;-20.82,-2.57,;-21.1,1.99,;-22.53,2.63,;-24.04,1.8,;-22.49,4.11,;-23.74,4.92,;-25.12,4.32,;-26.32,5.11,;-27.69,4.41,;-28.96,5.22,;-21.1,4.83,;-20.94,6.38,;-22.28,7.26,;-19.55,7.03,;-19.48,8.64,;-20.82,9.5,;-20.78,10.98,;-22.19,11.81,;-22.14,13.4,;-23.53,14.14,;-20.82,14.14,;-18.28,6.26,;-16.94,6.89,;-16.94,8.44,;-15.76,5.99,;-15.76,4.51,;-14.33,6.7,;-13.15,5.87,;-13.15,4.32,;-11.69,6.47,;-11.6,8.02,;-12.76,8.9,;-10.49,5.57,;-9.22,6.42,;-9.22,8.02,;-7.86,5.66,;-7.93,4.09,;-9.24,3.35,;-9.24,1.87,;-10.54,4.11,;-6.49,6.42,;-5.25,5.66,;-5.25,3.95,;-3.81,6.42,;-3.81,8.02,;-5.27,8.78,;-5.25,10.26,;-6.56,11.06,;-6.56,12.6,;-7.9,13.37,;-7.9,14.91,;-8.99,12.28,;-2.52,5.73,;-1.16,6.47,;-1.16,8.02,;-.02,5.57,;-.02,4.03,;1.07,2.94,;.67,1.45,;1.76,.36,;1.36,-1.12,;1.25,6.38,;2.5,5.52,;2.5,3.79,;3.81,6.29,;3.79,7.88,;2.5,8.64,;1.18,7.74,;2.43,10.1,;5.25,5.55,;6.52,6.38,;6.52,7.93,;7.79,5.55,;9.13,6.26,;10.45,5.52,;10.38,3.95,;11.76,6.17,;11.83,7.72,;10.58,8.51,;10.58,10.05,;9.41,10.86,;9.43,12.41,;13.15,5.32,;14.49,5.99,;14.49,7.53,;15.92,5.25,;15.92,3.67,;14.54,2.87,;14.63,1.34,;13.2,.65,;13.2,-.99,;11.83,-1.71,;14.42,-1.83,;17.24,5.99,;18.49,5.32,;18.49,3.77,;19.9,6.1,;19.9,7.63,;18.6,8.44,;18.6,9.96,;17.33,10.68,;15.92,9.96,;14.77,10.79,;15.92,8.3,;17.29,7.72,;21.12,5.25,;22.39,6.1,;22.39,7.72,;23.71,5.32,;25.19,6.17,;25.19,7.74,;23.71,3.79,;24.91,3.07,;26.09,3.79,;24.91,1.53,;26.35,.88,;27.69,1.62,;29.06,.92,;30.39,1.69,;29.06,-.62,;23.76,.65,;23.06,-.7,;21.54,-.7,;23.76,-2.05,;23.06,-3.4,;23.8,-4.75,;25.33,-4.75,;23.06,-6.06,;21.54,-6.06,;20.75,-4.75,;19.18,-4.75,;18.44,-3.4,;19.18,-2.05,;20.71,-2.05,;21.54,-3.4,;23.8,-7.37,;23.15,-8.72,;21.36,-8.72,;23.89,-10.2,;23.15,-11.68,;23.8,-12.99,;25.37,-12.99,;23.15,-14.29,;21.58,-14.29,;23.8,-15.65,;23.15,-17,;21.58,-17,;23.84,-18.35,;25.37,-18.35,;26.11,-17,;27.68,-17,;25.34,-15.66,;23.19,-19.7,;23.84,-20.96,;25.37,-20.96,;23.19,-22.31,;21.65,-22.31,;20.88,-20.98,;23.84,-23.62,;23.19,-24.92,;21.58,-24.92,;23.84,-26.27,;23.19,-27.58,;25.41,-26.27,;26.18,-27.61,;25.78,-29.09,;27.08,-29.93,;28.27,-28.96,;27.72,-27.53,;25.43,-10.2,;26.2,-8.87,;26.52,-11.29,;25.33,-2.05,;26.07,-3.4,;26.07,-.7,;7.79,3.91,;9.04,3.24,;6.33,3.24,;-6.29,-4.85,;-6.29,-6.4,;-4.95,-4.11,;-3.56,-4.92,;-2.2,-4.11,;-2.17,-2.63,;-3.49,-1.85,;-.84,-1.86,;-3.61,-6.47,;-2.24,-7.19,;-4.99,-7.3,)|
Structure:
Search PDB for entries with ligand similarity: