Ki Summary

Reaction Details

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Target

Replication protein A 70 kDa DNA-binding subunit

Ligand

BDBM50006682

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1336209 (CHEMBL3241316)

1500±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

BDBM50006682

n/a

Name

BDBM50006682

Synonyms:

CHEMBL3236303

Type

Small organic molecule

Emp. Form.

C99H120N16O25S

Mol. Mass.

1966.169

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(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(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:13.13,107.116,38.41,58.61,4.3,73.77,121.129,48.51,wD:53.56,62.65,113.121,24.25,129.137,8.8,c:46,(67.2,-15.63,;67.2,-17.16,;68.54,-17.92,;65.87,-17.92,;65.87,-19.45,;64.55,-20.22,;63.22,-19.45,;63.22,-17.92,;61.89,-20.22,;61.89,-21.76,;60.56,-19.45,;59.23,-20.22,;59.23,-21.76,;57.9,-19.44,;57.9,-17.92,;59.23,-17.15,;60.56,-17.92,;61.9,-17.15,;61.9,-15.62,;60.57,-14.84,;59.24,-15.62,;56.57,-20.21,;55.23,-19.44,;55.23,-17.91,;53.9,-20.21,;53.9,-21.75,;55.23,-22.51,;56.64,-21.9,;57.66,-23.03,;56.89,-24.37,;57.38,-25.83,;56.34,-26.97,;54.83,-26.65,;54.37,-25.18,;55.39,-24.05,;52.58,-19.44,;51.25,-20.2,;51.25,-21.75,;49.92,-19.43,;51.01,-18.33,;49.15,-18.09,;49.91,-16.76,;49.14,-15.44,;49.91,-14.11,;49.14,-12.78,;36.22,-16.04,;35.83,-17.51,;34.35,-17.92,;33.96,-19.41,;33.18,-18.08,;32.64,-20.19,;31.31,-19.41,;31.31,-17.88,;29.97,-20.18,;29.97,-21.72,;28.64,-19.41,;27.31,-20.18,;27.31,-21.72,;25.98,-19.4,;24.65,-20.18,;23.33,-19.4,;23.33,-17.87,;22,-20.18,;22,-21.71,;23.33,-22.48,;24.65,-21.71,;25.98,-22.48,;25.98,-24.01,;24.65,-24.78,;23.32,-24.01,;20.67,-19.4,;19.34,-20.18,;19.34,-21.71,;18,-19.4,;18,-17.86,;19.34,-17.1,;20.68,-17.86,;19.34,-15.57,;16.67,-20.18,;15.29,-19.36,;15.31,-17.74,;13.88,-20.14,;12.5,-19.32,;11.1,-20.1,;9.71,-19.27,;9.73,-17.66,;11.14,-16.87,;12.53,-17.7,;11.57,-15.32,;13.13,-14.91,;10.44,-14.17,;8.33,-16.82,;6.93,-17.61,;6.91,-19.22,;5.49,-20,;4.11,-19.18,;2.68,-19.96,;4.14,-17.56,;5.55,-16.77,;5.56,-15.16,;6.99,-14.39,;7.01,-12.77,;8.42,-11.98,;8.44,-10.34,;9.81,-12.81,;9.77,-14.42,;8.37,-15.21,;25.98,-17.87,;24.65,-17.12,;27.31,-17.11,;35.29,-20.19,;35.29,-21.73,;36.62,-19.42,;37.95,-20.2,;37.95,-21.73,;39.28,-22.49,;40.61,-21.73,;39.28,-24.03,;39.28,-19.42,;39.28,-17.89,;40.61,-20.2,;41.94,-19.42,;41.94,-17.9,;43.27,-17.12,;44.61,-17.9,;43.27,-15.6,;43.27,-20.2,;43.27,-21.74,;44.6,-19.43,;45.93,-20.21,;45.93,-21.74,;47.26,-22.5,;47.26,-24.04,;45.93,-24.81,;48.59,-24.81,;47.26,-19.43,;47.26,-17.9,;48.59,-20.2,;67.2,-20.23,;68.53,-19.46,;67.2,-21.77,)|

Structure