Ki Summary

Reaction Details

Report a problem with these data

Target

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligand

BDBM50605399

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2251314 (CHEMBL5165524)

IC50

70±n/a nM

Citation

Clark, JM; Salgado-Polo, F; Macdonald, SJF; Barrett, TN; Perrakis, A; Jamieson, C Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators. J Med Chem65:6338-6351 (2022) [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:

PROTEIN

Mol. Mass.:

101590.86

Organism:

Rattus norvegicus

Description:

ChEMBL_116829

Residue:

887

Sequence:

MARQGCLGSFQVISLFTFAISVNICLGFTASRIKRAEWDEGPPTVLSDSPWTNTSGSCKG
RCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCS
EDCLSRGDCCTNYQVVCKGESHWVDDDCEEIKVPECPAGFVRPPLIIFSVDGFRASYMKK
GSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDAS
FHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERP
SVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLRLHRCVNVIFVGDHG
MEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRAKSINNSKYDPKTIIANLTCKKPDQHF
KPYMKQHLPKRLHYANNRRIEDIHLLVDRRWHVARKPLDVYKKPSGKCFFQGDHGFDNKV
NSMQTVFVGYGPTFKYRTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFR
PTMPDEVSRPNYPGIMYLQSEFDLGCTCDDKVEPKNKLEELNKRLHTKGSTEAETGKFRG
SKHENKKNLNGSVEPRKERHLLYGRPAVLYRTSYDILYHTDFESGYSEIFLMPLWTSYTI
SKQAEVSSIPEHLTNCVRPDVRVSPGFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDA
FLVTNMVPMYPAFKRVWAYFQRVLVKKYASERNGVNVISGPIFDYNYDGLRDTEDEIKQY
VEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNDESCNSSEDESKWV
EELMKMHTARVRDIEHLTGLDFYRKTSRSYSEILTLKTYLHTYESEI

BDBM50605399

n/a

Name

BDBM50605399

Synonyms:

CHEMBL5198478

Type

Small organic molecule

Emp. Form.

C39H62BNO6

Mol. Mass.

651.724

SMILES

[H][C@@]1(CC[C@@]2([H])C3[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCOc1ccc(cc1)B1OC(C)(C)C(C)(C)O1 |r|

Structure