Ki Summary

Reaction Details

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Target

Replication protein A 70 kDa DNA-binding subunit

Ligand

BDBM50006726

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1336210 (CHEMBL3241458)

2400±n/a nM

Citation

Frank, AO; Vangamudi, B; Feldkamp, MD; Souza-Fagundes, EM; Luzwick, JW; Cortez, D; Olejniczak, ET; Waterson, AG; Rossanese, OW; Chazin, WJ; Fesik, SW Discovery of a potent stapled helix peptide that binds to the 70N domain of replication protein A. J Med Chem57:2455-61 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Replication protein A 70 kDa DNA-binding subunit

Name:

Replication protein A 70 kDa DNA-binding subunit

Synonyms:

Type:

Enzyme

Mol. Mass.:

68139.43

Organism:

Homo sapiens (Human)

Description:

P27694

Residue:

616

Sequence:

MVGQLSEGAIAAIMQKGDTNIKPILQVINIRPITTGNSPPRYRLLMSDGLNTLSSFMLAT
QLNPLVEEEQLSSNCVCQIHRFIVNTLKDGRRVVILMELEVLKSAEAVGVKIGNPVPYNE
GLGQPQVAPPAPAASPAASSRPQPQNGSSGMGSTVSKAYGASKTFGKAAGPSLSHTSGGT
QSKVVPIASLTPYQSKWTICARVTNKSQIRTWSNSRGEGKLFSLELVDESGEIRATAFNE
QVDKFFPLIEVNKVYYFSKGTLKIANKQFTAVKNDYEMTFNNETSVMPCEDDHHLPTVQF
DFTGIDDLENKSKDSLVDIIGICKSYEDATKITVRSNNREVAKRNIYLMDTSGKVVTATL
WGEDADKFDGSRQPVLAIKGARVSDFGGRSLSVLSSSTIIANPDIPEAYKLRGWFDAEGQ
ALDGVSISDLKSGGVGGSNTNWKTLYEVKSENLGQGDKPDYFSSVATVVYLRKENCMYQA
CPTQDCNKKVIDQQNGLYRCEKCDTEFPNFKYRMILSVNIADFQENQWVTCFQESAEAIL
GQNAAYLGELKDKNEQAFEEVFQNANFRSFIFRVRVKVETYNDESRIKATVMDVKPVDYR
EYGRRLVMSIRRSALM

BDBM50006726

n/a

Name

BDBM50006726

Synonyms:

CHEMBL3236545

Type

Small organic molecule

Emp. Form.

C99H119Cl2N17O24S

Mol. Mass.

2034.075

SMILES

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:123.131,109.118,60.63,4.3,75.79,13.13,50.53,40.43,wD:115.123,131.139,64.67,55.58,26.27,8.8,c:48,(68.86,-13.3,;68.86,-14.83,;70.19,-15.6,;67.52,-15.6,;67.52,-17.13,;66.19,-17.9,;64.87,-17.12,;64.87,-15.59,;63.54,-17.89,;63.54,-19.44,;62.2,-17.12,;60.88,-17.89,;60.88,-19.43,;59.54,-17.12,;59.54,-15.59,;60.88,-14.82,;62.21,-15.59,;63.54,-14.82,;63.54,-13.29,;64.88,-12.53,;62.21,-12.51,;62.22,-10.97,;60.88,-13.29,;58.21,-17.88,;56.87,-17.11,;56.87,-15.58,;55.54,-17.88,;55.54,-19.42,;56.87,-20.19,;58.28,-19.57,;59.31,-20.71,;58.53,-22.04,;59.02,-23.51,;57.98,-24.65,;56.47,-24.33,;56.01,-22.86,;57.03,-21.72,;54.22,-17.11,;52.89,-17.88,;52.89,-19.42,;51.55,-17.11,;52.64,-16,;50.78,-15.76,;51.54,-14.43,;50.78,-13.1,;51.54,-11.77,;50.78,-10.44,;37.84,-13.7,;37.45,-15.18,;35.97,-15.6,;35.58,-17.08,;34.8,-15.75,;34.26,-17.86,;32.92,-17.08,;32.92,-15.55,;31.59,-17.86,;31.59,-19.39,;30.25,-17.08,;28.93,-17.85,;28.93,-19.39,;27.59,-17.07,;26.26,-17.85,;24.94,-17.07,;24.94,-15.54,;23.61,-17.85,;23.61,-19.38,;24.94,-20.15,;26.26,-19.39,;27.59,-20.16,;27.59,-21.69,;26.26,-22.46,;24.93,-21.69,;22.28,-17.07,;20.94,-17.85,;20.94,-19.38,;19.6,-17.07,;19.6,-15.53,;20.94,-14.77,;22.28,-15.53,;20.94,-13.23,;18.27,-17.85,;16.89,-17.02,;16.91,-15.41,;15.48,-17.81,;14.09,-16.99,;12.7,-17.77,;11.31,-16.94,;11.32,-15.32,;12.74,-14.54,;14.13,-15.37,;13.17,-12.98,;14.73,-12.57,;12.03,-11.83,;9.93,-14.49,;8.53,-15.27,;8.51,-16.88,;7.08,-17.67,;5.7,-16.84,;4.27,-17.63,;5.73,-15.22,;7.14,-14.44,;7.15,-12.82,;8.58,-12.05,;8.6,-10.43,;10.02,-9.63,;10.03,-8,;11.4,-10.47,;11.37,-12.08,;9.96,-12.87,;27.59,-15.54,;26.26,-14.78,;28.93,-14.78,;36.91,-17.86,;36.91,-19.4,;38.24,-17.09,;39.58,-17.87,;39.58,-19.4,;40.9,-20.17,;42.23,-19.4,;40.9,-21.71,;40.9,-17.09,;40.9,-15.56,;42.24,-17.87,;43.57,-17.09,;43.57,-15.57,;44.9,-14.79,;44.9,-13.27,;46.23,-15.57,;44.9,-17.88,;44.9,-19.41,;46.23,-17.1,;47.56,-17.88,;47.56,-19.41,;48.89,-20.17,;48.89,-21.72,;47.56,-22.49,;50.22,-22.49,;48.89,-17.1,;48.89,-15.57,;50.23,-17.88,;68.86,-17.9,;70.18,-17.13,;68.86,-19.44,)|

Structure