Ki Summary

Reaction Details

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Target

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligand

BDBM50572943

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2118581 (CHEMBL4827647)

IC50

3.6±n/a nM

Citation

Ma, B; Zhang, L; Sun, L; Xin, Z; Kumaravel, G; Marcotte, D; Chodaparambil, JV; Wang, Q; Wehr, A; Jing, J; Hong, VS; Wang, T; Huang, C; Shao, Z; Mi, S Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. ACS Med Chem Lett12:1124-1129 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Name:

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Synonyms:

Type:

Enzyme

Mol. Mass.:

99007.13

Organism:

Homo sapiens (Human)

Description:

Q13822

Residue:

863

Sequence:

MARRSSFQSCQIISLFTFAVGVNICLGFTAHRIKRAEGWEEGPPTVLSDSPWTNISGSCK
GRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHC
SEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMK
KGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDA
TFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHER
PSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDH
GMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIANLTCKKPDQH
FKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYKKPSGKCFFQGDHGFDNK
VNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTF
RPTMPEEVTRPNYPGIMYLQSDFDLGCTCDDKVEPKNKLDELNKRLHTKGSTEERHLLYG
RPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEVSSVPDHLTSCVRPDVRVS
PSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVL
VKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQ
PADKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFR
KTSRSYPEILTLKTYLHTYESEI

BDBM50572943

n/a

Name

BDBM50572943

Synonyms:

CHEMBL4872157

Type

Small organic molecule

Emp. Form.

C29H36F3NO3

Mol. Mass.

503.5962

SMILES

C[C@H](N1C2CCCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@@H]3CC[C@H](C)CC3)c(c2c1)C(F)(F)F |r,wU:22.23,25.27,1.0,(40.97,-38.74,;40.93,-37.21,;42.21,-36.36,;43.58,-37.05,;44.28,-35.68,;42.73,-35.77,;43.64,-34.75,;42.11,-34.82,;43.4,-33.98,;44.78,-34.67,;44.87,-36.21,;46.07,-33.83,;45.98,-32.29,;47.44,-34.52,;39.59,-36.44,;39.58,-34.89,;38.25,-34.13,;36.92,-34.91,;35.59,-34.14,;34.26,-34.91,;34.26,-36.46,;32.92,-37.23,;31.59,-36.46,;31.6,-34.91,;30.27,-34.14,;28.93,-34.9,;27.6,-34.12,;28.93,-36.44,;30.26,-37.22,;35.59,-37.23,;36.92,-36.45,;38.26,-37.22,;35.59,-38.77,;34.26,-39.54,;36.93,-39.54,;35.58,-40.3,)|

Structure