Reaction Details
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Syntenin-1
Ligand
BDBM50557298
Substrate
n/a
Meas. Tech.
ChEMBL_2058682 (CHEMBL4713683)
Ki
30±n/a nM
Citation
Haugaard-Kedström, LM; Clemmensen, LS; Sereikaite, V; Jin, Z; Fernandes, EFA; Wind, B; Abalde-Gil, F; Daberger, J; Vistrup-Parry, M; Aguilar-Morante, D; Leblanc, R; Egea-Jimenez, AL; Albrigtsen, M; Jensen, KE; Jensen, TMT; Ivarsson, Y; Vincentelli, R; Hamerlik, P; Andersen, JH; Zimmermann, P; Lee, W; Strømgaard, K A High-Affinity Peptide Ligand Targeting Syntenin Inhibits Glioblastoma. J Med Chem 64:1423-1434 (2021) [PubMed] Article More Info.:
Target
Name:
Syntenin-1
Synonyms:
MDA-9 | MDA9 | Melanoma differentiation-associated protein 9 | Pro-TGF-alpha cytoplasmic domain-interacting protein 18 | SDCB1_HUMAN | SDCBP | SYCL | Scaffold protein Pbp1 | Syndecan-binding protein 1 | Syntenin-1 | TACIP18
Type:
PROTEIN
Mol. Mass.:
32447.55
Organism:
Homo sapiens
Description:
ChEMBL_120132
Residue:
298
Sequence:
MSLYPSLEDLKVDKVIQAQTAFSANPANPAILSEASAPIPHDGNLYPRLYPELSQYMGLSLNEEEIRANVAVVSGAPLQGQLVARPSSINYMVAPVTGNDVGIRRAEIKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFGDQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDSTGHVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIADILSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Inhibitor
Name:
BDBM50557298
Synonyms:
CHEMBL4750927
Type:
Small organic molecule
Emp. Form.:
C79H99N17O20
Mol. Mass.:
1606.7333
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(C([O-])=O)c(c1)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(C)(C)C)C1CCCCC1)C(O)=O |r,wU:58.65,24.36,16.16,48.53,wD:8.12,20.20,66.73,2.2,38.47,4.4,(53.52,-22.4,;53.51,-23.94,;52.17,-24.71,;52.15,-26.25,;50.84,-23.93,;49.49,-24.68,;48.17,-23.9,;48.18,-22.36,;46.83,-24.66,;46.81,-26.2,;48.14,-26.98,;48.13,-28.52,;49.49,-26.22,;45.5,-23.88,;44.16,-24.64,;44.15,-26.18,;42.84,-23.85,;41.5,-24.61,;40.17,-23.83,;40.18,-22.29,;38.83,-24.59,;37.5,-23.8,;36.16,-24.56,;36.15,-26.1,;34.84,-23.78,;34.85,-22.24,;36.19,-21.48,;37.59,-22.13,;38.63,-20.99,;37.88,-19.65,;38.36,-18.19,;37.34,-17.03,;35.83,-17.34,;35.34,-18.8,;36.37,-19.95,;33.5,-24.54,;32.17,-23.76,;32.19,-22.22,;30.83,-24.51,;30.82,-26.05,;32.14,-26.84,;33.55,-26.22,;34.57,-27.37,;33.79,-28.71,;32.29,-28.37,;29.5,-23.73,;28.16,-24.5,;28.14,-26.04,;26.83,-23.71,;26.85,-22.17,;28.19,-21.42,;25.49,-24.47,;24.17,-23.68,;24.18,-22.14,;22.83,-24.45,;21.5,-23.67,;20.16,-24.42,;20.15,-25.96,;18.83,-23.64,;18.85,-22.1,;20.19,-21.34,;21.51,-22.13,;20.2,-19.8,;17.49,-24.4,;16.17,-23.62,;16.18,-22.08,;14.83,-24.37,;14.81,-25.91,;16.14,-26.7,;16.12,-28.24,;17.48,-25.94,;13.5,-23.59,;12.16,-24.35,;12.15,-25.89,;10.83,-23.57,;10.84,-22.03,;9.52,-21.25,;8.18,-22,;6.85,-21.22,;5.32,-21.05,;6.87,-19.68,;8.16,-23.54,;9.49,-24.33,;6.82,-24.3,;5.5,-23.52,;5.51,-21.98,;4.19,-21.2,;2.85,-21.96,;2.83,-23.5,;4.16,-24.28,;4.14,-25.82,;5.47,-26.6,;5.46,-28.14,;6.78,-28.92,;8.13,-28.16,;8.13,-26.62,;6.81,-25.84,;6.77,-30.46,;5.43,-31.22,;8.1,-31.24,;1.52,-21.17,;.18,-21.93,;1.53,-19.63,;38.81,-26.13,;37.48,-26.88,;40.13,-26.91,;38.8,-27.66,;42.85,-22.31,;41.52,-21.53,;41.53,-19.99,;42.87,-19.23,;44.21,-20.02,;44.19,-21.56,;50.85,-22.39,;49.52,-21.6,;52.2,-21.63,)|
Structure:
