Reaction Details Report a problem with these data
Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM50542073
Substrate
n/a
Meas. Tech.
ChEMBL_1985904 (CHEMBL4619310)
IC50
29±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:
BDBM50542073
Synonyms:
CHEMBL4639112
Type:
Small organic molecule
Emp. Form.:
C26H28FN3O3
Mol. Mass.:
449.5172
SMILES:
OC(=O)[C@@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2cccc(F)c2)c2ncccc32)CC1 |r,wU:6.6,3.2,(67.65,-32.84,;66.62,-33.98,;67.09,-35.45,;65.11,-33.66,;64.64,-32.19,;63.13,-31.87,;62.11,-33.02,;60.6,-32.7,;59.57,-33.85,;60.05,-35.31,;58.07,-33.53,;57.58,-32.05,;56.06,-31.73,;55.03,-32.89,;55.51,-34.37,;57.03,-34.68,;54.26,-35.26,;54.26,-36.8,;52.92,-37.57,;52.92,-39.1,;51.6,-39.87,;50.25,-39.1,;50.26,-37.56,;48.93,-36.78,;51.59,-36.79,;53.01,-34.36,;51.51,-34.68,;50.48,-33.54,;50.96,-32.06,;52.47,-31.75,;53.49,-32.89,;62.58,-34.48,;64.08,-34.8,)|
Structure:
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