Ki Summary

Reaction Details

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Target

Endoplasmin

Ligand

BDBM50439624

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_977713 (CHEMBL2424070)

31±n/a nM

Citation

Taldone, T; Patel, PD; Patel, M; Patel, HJ; Evans, CE; Rodina, A; Ochiana, S; Shah, SK; Uddin, M; Gewirth, D; Chiosis, G Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series. J Med Chem56:6803-18 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Endoplasmin

Name:

Endoplasmin

Synonyms:

ENPL_CANLF | GRP94 | HSP90B1 | Heat shock protein 90 beta | TRA1

Type:

PROTEIN

Mol. Mass.:

92464.42

Organism:

Canis familiaris

Description:

ChEMBL_1478277

Residue:

804

Sequence:

MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDG
LNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISL
TDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTE
AQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNT
LGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAK
EEKEDSDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEDDEYKAFYK
SFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITD
DFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADEKY
NDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPSDITSLDQYVERMKEKQDKIYF
MAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDE
SEKTKESREAIEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMER
IMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIKDMLRRVKEDEDDKTVSDLAVVLFET
ATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETTEDTTEDTEQDDEE
EMDAGTDDEEQETVKKSTAEKDEL

BDBM50439624

n/a

Name

BDBM50439624

Synonyms:

CHEMBL1910764

Type

Small organic molecule

Emp. Form.

C39H32IN7O7S2

Mol. Mass.

901.749

SMILES

CC(C)N(CCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(24.17,-3.37,;24.17,-4.91,;25.5,-5.68,;22.84,-5.68,;21.5,-4.92,;21.5,-3.38,;20.16,-2.61,;20.16,-1.07,;21.08,.17,;22.62,.16,;23.39,1.49,;24.93,1.47,;25.71,2.81,;27.21,3.11,;27.38,4.64,;25.98,5.28,;24.95,4.14,;23.4,4.14,;22.63,2.82,;21.09,2.82,;20.17,1.42,;18.71,.95,;17.4,1.72,;17.41,3.26,;16.08,.96,;16.07,-.57,;17.39,-1.34,;18.7,-.59,;22.84,-7.22,;21.5,-8,;24.17,-7.99,;24.17,-9.53,;22.84,-10.31,;22.84,-11.85,;24.17,-12.61,;25.51,-11.84,;25.51,-10.3,;27.04,-11.84,;27.82,-13.17,;27.81,-10.5,;24.17,-14.14,;22.84,-14.92,;21.5,-14.15,;20.17,-14.93,;20.17,-16.47,;18.84,-17.24,;21.51,-17.24,;22.83,-16.47,;24.17,-17.24,;25.51,-16.46,;26.84,-17.23,;28.17,-16.46,;29.5,-17.23,;28.17,-14.92,;26.84,-14.15,;25.51,-14.92,)|

Structure