Ki Summary

Reaction Details

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Target

Poly(ADP-ribose) glycohydrolase

Ligand

BDBM50541116

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1983746 (CHEMBL4617152)

IC50

29700±n/a nM

Citation

Shibui, Y; Oyama, T; Okazawa, M; Yoshimori, A; Abe, H; Uchiumi, F; Tanuma, SI Structural insights into the active site of poly(ADP-ribose) glycohydrolase using docking modes of 6-hydroxy-3H-xanthen-3-one derivative inhibitors. Bioorg Med Chem28:0 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Poly(ADP-ribose) glycohydrolase

Name:

Poly(ADP-ribose) glycohydrolase

Synonyms:

PARG | PARG_HUMAN | Poly(ADP-ribose) glycohydrolase | poly(ADP-ribose) glycohydrolase (PARG)

Type:

Protein

Mol. Mass.:

111107.13

Organism:

Homo sapiens (Human)

Description:

Q86W56

Residue:

976

Sequence:

MNAGPGCEPCTKRPRWGAATTSPAASDARSFPSRQRRVLDPKDAHVQFRVPPSSPACVPG
RAGQHRGSATSLVFKQKTITSWMDTKGIKTAESESLDSKENNNTRIESMMSSVQKDNFYQ
HNVEKLENVSQLSLDKSPTEKSTQYLNQHQTAAMCKWQNEGKHTEQLLESEPQTVTLVPE
QFSNANIDRSPQNDDHSDTDSEENRDNQQFLTTVKLANAKQTTEDEQAREAKSHQKCSKS
CDPGEDCASCQQDEIDVVPESPLSDVGSEDVGTGPKNDNKLTRQESCLGNSPPFEKESEP
ESPMDVDNSKNSCQDSEADEETSPGFDEQEDGSSSQTANKPSRFQARDADIEFRKRYSTK
GGEVRLHFQFEGGESRTGMNDLNAKLPGNISSLNVECRNSKQHGKKDSKITDHFMRLPKA
EDRRKEQWETKHQRTERKIPKYVPPHLSPDKKWLGTPIEEMRRMPRCGIRLPLLRPSANH
TVTIRVDLLRAGEVPKPFPTHYKDLWDNKHVKMPCSEQNLYPVEDENGERTAGSRWELIQ
TALLNKFTRPQNLKDAILKYNVAYSKKWDFTALIDFWDKVLEEAEAQHLYQSILPDMVKI
ALCLPNICTQPIPLLKQKMNHSITMSQEQIASLLANAFFCTFPRRNAKMKSEYSSYPDIN
FNRLFEGRSSRKPEKLKTLFCYFRRVTEKKPTGLVTFTRQSLEDFPEWERCEKPLTRLHV
TYEGTIEENGQGMLQVDFANRFVGGGVTSAGLVQEEIRFLINPELIISRLFTEVLDHNEC
LIITGTEQYSEYTGYAETYRWSRSHEDGSERDDWQRRCTEIVAIDALHFRRYLDQFVPEK
MRRELNKAYCGFLRPGVSSENLSAVATGNWGCGAFGGDARLKALIQILAAAAAERDVVYF
TFGDSELMRDIYSMHIFLTERKLTVGDVYKLLLRYYNEECRNCSTPGPDIKLYPFIYHAV
ESCAETADHSGQRTGT

BDBM50541116

n/a

Name

BDBM50541116

Synonyms:

CHEBI:87202 | Rose bengal

Type

Small organic molecule

Emp. Form.

C20H4Cl4I4O5

Mol. Mass.

973.673

SMILES

OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(O)c(I)c2oc2c(I)c(=O)c(I)cc12 |(2.68,-2.06,;2.67,-3.09,;3.74,-3.7,;1.34,-3.85,;1.34,-5.39,;2.4,-6.01,;0,-6.16,;0,-7.39,;-1.33,-5.39,;-2.4,-6.01,;-1.33,-3.85,;-2.4,-3.23,;0,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.07,-1.39,;-4,.77,;-5.07,1.39,;-2.67,1.54,;-2.67,2.77,;-1.33,.77,;,1.54,;1.31,.77,;2.67,1.54,;2.67,2.77,;4,.77,;5.07,1.39,;4,-.77,;5.07,-1.39,;2.67,-1.54,;1.31,-.77,)|

Structure