Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM50542075
Substrate
n/a
Meas. Tech.
ChEMBL_1985911 (CHEMBL4619317)
IC50
16±n/a nM
Citation
 Iwaki, Y; Ohhata, A; Nakatani, S; Hisaichi, K; Okabe, Y; Hiramatsu, A; Watanabe, T; Yamamoto, S; Nishiyama, T; Kobayashi, J; Hirooka, Y; Moriguchi, H; Maeda, T; Katoh, M; Komichi, Y; Ota, H; Matsumura, N; Okada, M; Sugiyama, T; Saga, H; Imagawa, A ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model. ACS Med Chem Lett 11:1335-1341 (2020) [PubMed]  Article 
Target
Name:
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Synonyms:
ATX | Autotaxin | Autotaxin (ATX) | E-NPP 2 | ENPP2 | ENPP2_HUMAN | Ectonucleotide Pyrophosphatase/Phosphodiesterase 2 (ENPP2) | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (E-NPP2) | Extracellular lysophospholipase D | LysoPLD | PDNP2
Type:
Enzyme
Mol. Mass.:
99007.13
Organism:
Homo sapiens (Human)
Description:
Q13822
Residue:
863
Sequence:
MARRSSFQSCQIISLFTFAVGVNICLGFTAHRIKRAEGWEEGPPTVLSDSPWTNISGSCKGRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIANLTCKKPDQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYKKPSGKCFFQGDHGFDNKVNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTMPEEVTRPNYPGIMYLQSDFDLGCTCDDKVEPKNKLDELNKRLHTKGSTEERHLLYGRPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEVSSVPDHLTSCVRPDVRVSPSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVLVKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFRKTSRSYPEILTLKTYLHTYESEI
  
Inhibitor
Name:
BDBM50542075
Synonyms:
CHEMBL4634540
Type:
Small organic molecule
Emp. Form.:
C26H27F2N3O3
Mol. Mass.:
467.5077
SMILES:
OC(=O)[C@@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,3.2,(29.17,-46.94,;28.14,-48.08,;28.61,-49.55,;26.63,-47.76,;26.16,-46.29,;24.65,-45.97,;23.63,-47.12,;22.12,-46.8,;21.09,-47.95,;21.57,-49.41,;19.59,-47.63,;19.1,-46.15,;17.58,-45.83,;16.55,-46.99,;17.03,-48.47,;18.55,-48.78,;15.78,-49.36,;15.78,-50.9,;14.44,-51.67,;13.11,-50.89,;11.78,-51.66,;11.77,-53.2,;10.44,-53.97,;13.11,-53.97,;14.44,-53.2,;15.78,-53.97,;14.53,-48.46,;13.03,-48.78,;12,-47.64,;12.47,-46.16,;13.99,-45.85,;15.01,-46.99,;24.1,-48.58,;25.6,-48.9,)|
Structure:
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