Ki Summary

Reaction Details

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Target

Replication protein A 70 kDa DNA-binding subunit

Ligand

BDBM50006681

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1336209 (CHEMBL3241316)

570±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

BDBM50006681

n/a

Name

BDBM50006681

Synonyms:

CHEMBL3236302

Type

Small organic molecule

Emp. Form.

C99H119N15O26S

Mol. Mass.

1967.154

SMILES

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)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(O)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=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:58.61,4.3,48.51,38.41,73.77,107.116,121.129,13.13,wD:24.25,53.56,129.137,8.8,62.65,113.121,c:46,(75.65,-17.81,;74.32,-17.04,;74.32,-15.51,;72.98,-17.81,;72.98,-19.34,;71.66,-20.11,;70.33,-19.34,;70.33,-17.81,;69,-20.11,;69,-21.65,;67.67,-19.33,;66.34,-20.1,;66.34,-21.65,;65.01,-19.33,;65.01,-17.8,;66.34,-17.03,;67.67,-17.81,;69.01,-17.04,;69.01,-15.51,;67.68,-14.73,;66.35,-15.5,;63.67,-20.1,;62.34,-19.33,;62.34,-17.8,;61.01,-20.1,;61.01,-21.64,;62.34,-22.4,;63.75,-21.78,;64.77,-22.92,;64,-24.26,;64.48,-25.72,;63.45,-26.86,;61.94,-26.54,;61.47,-25.07,;62.5,-23.93,;59.69,-19.32,;58.36,-20.09,;58.36,-21.63,;57.02,-19.32,;58.11,-18.22,;56.25,-17.98,;57.01,-16.65,;56.25,-15.32,;57.01,-13.99,;56.25,-12.66,;43.32,-15.92,;42.93,-17.41,;41.45,-17.81,;41.06,-19.3,;40.28,-17.96,;39.74,-20.08,;38.4,-19.3,;38.4,-17.77,;37.07,-20.07,;37.07,-21.61,;35.74,-19.29,;34.41,-20.07,;34.41,-21.6,;33.07,-19.29,;31.75,-20.06,;30.42,-19.29,;30.42,-17.76,;29.09,-20.06,;29.09,-21.6,;30.42,-22.36,;31.74,-21.6,;33.07,-22.37,;33.07,-23.9,;31.74,-24.67,;30.42,-23.9,;27.76,-19.28,;26.42,-20.06,;26.42,-21.59,;25.09,-19.28,;25.09,-17.75,;26.42,-16.99,;27.77,-17.75,;26.42,-15.45,;23.76,-20.06,;22.38,-19.24,;22.4,-17.62,;20.97,-20.02,;19.58,-19.2,;18.19,-19.98,;16.8,-19.15,;16.82,-17.53,;18.23,-16.75,;19.62,-17.58,;18.66,-15.2,;20.22,-14.79,;17.53,-14.05,;15.42,-16.7,;14.02,-17.49,;14,-19.1,;12.58,-19.88,;11.2,-19.06,;9.76,-19.84,;11.22,-17.44,;12.63,-16.65,;12.65,-15.04,;14.07,-14.27,;14.09,-12.64,;15.51,-11.85,;15.52,-10.22,;16.89,-12.69,;16.86,-14.3,;15.45,-15.09,;33.07,-17.76,;31.75,-17,;34.41,-17,;42.39,-20.08,;42.39,-21.61,;43.72,-19.3,;45.05,-20.08,;45.05,-21.62,;46.38,-22.39,;47.71,-21.62,;46.38,-23.92,;46.38,-19.31,;46.38,-17.78,;47.71,-20.09,;49.04,-19.31,;49.04,-17.78,;50.37,-17.01,;51.7,-17.78,;50.37,-15.48,;50.37,-20.09,;50.37,-21.62,;51.7,-19.31,;53.04,-20.09,;53.04,-21.63,;54.36,-22.39,;54.36,-23.93,;53.03,-24.7,;55.69,-24.7,;54.36,-19.32,;54.36,-17.79,;55.7,-20.09,;74.32,-20.11,;75.64,-19.34,;74.32,-21.66,)|

Structure