Ki Summary

Reaction Details

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Target

Histone deacetylase 6

Ligand

BDBM50044636

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1450062 (CHEMBL3373903)

IC50

58±n/a nM

Citation

Tashima, T; Murata, H; Kodama, H Design and synthesis of novel and highly-active pan-histone deacetylase (pan-HDAC) inhibitors. Bioorg Med Chem22:3720-31 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Histone deacetylase 6

Name:

Histone deacetylase 6

Synonyms:

Type:

Chromatin regulator; hydrolase; repressor

Mol. Mass.:

131381.51

Organism:

Homo sapiens (Human)

Description:

Q9UBN7

Residue:

1215

Sequence:

MTSTGQDSTTTRQRRSRQNPQSPPQDSSVTSKRNIKKGAVPRSIPNLAEVKKKGKMKKLG
QAMEEDLIVGLQGMDLNLEAEALAGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLI
QEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNS
YSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQ
KHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQG
QGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATP
AGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSA
QASVSCALEALEPFWEVLVRSTETVERDNMEEDNVEESEEEGPWEPPVLPILTWPVLQSR
TGLVYDQNMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCH
SAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLN
GAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQTISGHALRILIVDWDVHHGNGTQHMF
EDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWH
RLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEG
GYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLRVMKVE
DREGPSSSKLVTKKAPQPAKPRLAERMTTREKKVLEAGMGKVTSASFGEESTPGQTNSET
AVVALTQDQPSEAATGGATLAQTISEAAIGGAMLGQTTSEEAVGGATPDQTTSEETVGGA
ILDQTTSEDAVGGATLGQTTSEEAVGGATLAQTTSEAAMEGATLDQTTSEEAPGGTELIQ
TPLASSTDHQTPPTSPVQGTTPQISPSTLIGSLRTLELGSESQGASESQAPGEENLLGEA
AGGQDMADSMLMQGSRGLTDQAIFYAVTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQ
ENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKN
IAHQNKFGEDMPHPH

BDBM50044636

n/a

Name

BDBM50044636

Synonyms:

CHEMBL3309297

Type

Small organic molecule

Emp. Form.

C22H29N3O4

Mol. Mass.

399.4834

SMILES

CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@@H](CC1)\C=C\C(=O)NO |r,wU:17.18,wD:20.25,(21.24,-20.14,;22.02,-21.48,;22.78,-20.14,;23.36,-22.25,;23.36,-23.79,;24.69,-24.56,;22.02,-24.56,;20.69,-23.79,;19.36,-24.56,;18.02,-23.79,;18.02,-22.25,;19.36,-21.48,;20.69,-22.25,;16.7,-21.48,;16.7,-19.94,;15.36,-22.25,;14.02,-21.48,;12.69,-22.25,;12.69,-23.8,;11.35,-24.56,;10.01,-23.79,;10.02,-22.25,;11.35,-21.48,;8.67,-24.55,;7.34,-23.78,;6.01,-24.54,;6,-26.08,;4.68,-23.76,;3.34,-24.53,)|

Structure