Ki Summary

Reaction Details

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Target

Sodium-dependent phosphate transport protein 2B

Ligand

BDBM50596524

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2220646 (CHEMBL5133980)

IC50

42±n/a nM

Citation

Ushiki, Y; Kawabe, K; Yamamoto-Okada, K; Uneuchi, F; Asanuma, Y; Yamaguchi, C; Ohta, H; Shibata, T; Abe, T; Okumura-Kitajima, L; Kosai, Y; Endo, M; Otake, K; Munetomo, E; Takahashi, T; Kakinuma, H Design, synthesis and biological evaluation of novel 1H-pyrazole-4-carbonyl-4,5,6,7-tetrahydrobenzo [b]thiophene derivatives as gut-selective NaPi2b inhibitors. Bioorg Med Chem Lett59:0 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Sodium-dependent phosphate transport protein 2B

Name:

Sodium-dependent phosphate transport protein 2B

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

75771.66

Organism:

Homo sapiens (Human)

Description:

O95436

Residue:

690

Sequence:

MAPWPELGDAQPNPDKYLEGAAGQQPTAPDKSKETNKTDNTEAPVTKIELLPSYSTATLI
DEPTEVDDPWNLPTLQDSGIKWSERDTKGKILCFFQGIGRLILLLGFLYFFVCSLDILSS
AFQLVGGKMAGQFFSNSSIMSNPLLGLVIGVLVTVLVQSSSTSTSIVVSMVSSSLLTVRA
AIPIIMGANIGTSITNTIVALMQVGDRSEFRRAFAGATVHDFFNWLSVLVLLPVEVATHY
LEIITQLIVESFHFKNGEDAPDLLKVITKPFTKLIVQLDKKVISQIAMNDEKAKNKSLVK
IWCKTFTNKTQINVTVPSTANCTSPSLCWTDGIQNWTMKNVTYKENIAKCQHIFVNFHLP
DLAVGTILLILSLLVLCGCLIMIVKILGSVLKGQVATVIKKTINTDFPFPFAWLTGYLAI
LVGAGMTFIVQSSSVFTSALTPLIGIGVITIERAYPLTLGSNIGTTTTAILAALASPGNA
LRSSLQIALCHFFFNISGILLWYPIPFTRLPIRMAKGLGNISAKYRWFAVFYLIIFFFLI
PLTVFGLSLAGWRVLVGVGVPVVFIIILVLCLRLLQSRCPRVLPKKLQNWNFLPLWMRSL
KPWDAVVSKFTGCFQMRCCCCCRVCCRACCLLCDCPKCCRCSKCCEDLEEAQEGQDVPVK
APETFDNITISREAQGEVPASDSKTECTAL

BDBM50596524

n/a

Name

BDBM50596524

Synonyms:

CHEMBL5188308

Type

Small organic molecule

Emp. Form.

C37H38ClF3N4O6S2

Mol. Mass.

791.299

SMILES

CCN([C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CC(C)(C)CCc2c1C(=O)c1cnn(c1)-c1ccc(Cl)c(c1)C(F)(F)F |r,wU:3.2,wD:6.9,(2.37,-6.5,;3.71,-5.73,;3.71,-4.19,;5.04,-3.42,;5.04,-1.88,;6.37,-1.11,;7.71,-1.88,;7.71,-3.42,;6.37,-4.19,;9.04,-1.11,;10.37,-1.88,;9.04,.43,;2.37,-3.42,;3.14,-2.08,;1.6,-2.08,;1.04,-4.19,;1.04,-5.73,;-.29,-6.5,;-1.62,-5.74,;-1.62,-4.19,;-.29,-3.42,;-2.96,-3.42,;-4.29,-4.19,;-2.96,-1.88,;-4.29,-1.11,;-5.7,-1.74,;-6.73,-.59,;-8.27,-.59,;-9.04,.74,;-10.37,1.51,;-10.37,-.03,;-8.27,2.07,;-6.73,2.07,;-5.96,.74,;-4.45,.42,;-3.36,1.51,;-3.76,3,;-1.88,1.11,;-1.32,-.33,;.21,-.24,;.61,1.24,;-.68,2.08,;2.1,1.64,;3.19,.55,;4.68,.95,;5.07,2.43,;6.56,2.83,;3.98,3.52,;2.5,3.13,;4.38,5.01,;3.29,6.1,;5.87,5.41,;4.78,6.5,)|

Structure