Ki Summary

Reaction Details

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Target

Poly(ADP-ribose) glycohydrolase

Ligand

BDBM50058291

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1983746 (CHEMBL4617152)

IC50

105600±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

BDBM50058291

n/a

Name

BDBM50058291

Synonyms:

CHEBI:87193 | CHEMBL1205178

Type

Small organic molecule

Emp. Form.

C20H4Br4Cl4O5

Mol. Mass.

785.671

SMILES

OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(17.43,-2.64,;16.66,-3.99,;17.43,-5.3,;15.12,-3.99,;15.12,-2.45,;16.43,-1.68,;13.77,-1.68,;13.77,-.14,;12.46,-2.45,;11.11,-1.68,;12.46,-3.99,;11.11,-4.76,;13.77,-4.76,;13.8,-6.3,;12.46,-7.07,;11.11,-6.3,;9.79,-7.1,;8.45,-6.33,;9.79,-8.64,;8,-9.7,;11.11,-9.41,;11.14,-10.95,;12.46,-8.64,;13.8,-9.41,;15.12,-8.61,;16.46,-9.38,;16.46,-10.92,;17.81,-8.61,;19.13,-9.38,;17.81,-7.07,;19.13,-6.3,;16.46,-6.3,;15.12,-7.07,)|

Structure