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Target
Replication protein A 70 kDa DNA-binding subunit
Ligand
BDBM50006723
Substrate
n/a
Meas. Tech.
ChEMBL_1336209 (CHEMBL3241316)
Kd
3700±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 Chem 57:2455-61 (2014) [PubMed]  Article
Target
Name:
Replication protein A 70 kDa DNA-binding subunit
Synonyms:
REPA1 | RF-A protein 1 | RFA1_HUMAN | RP-A p70 | RPA1 | RPA70 | Replication factor A protein 1 | Single-stranded DNA-binding protein
Type:
Enzyme
Mol. Mass.:
68139.43
Organism:
Homo sapiens (Human)
Description:
P27694
Residue:
616
Sequence:
MVGQLSEGAIAAIMQKGDTNIKPILQVINIRPITTGNSPPRYRLLMSDGLNTLSSFMLATQLNPLVEEEQLSSNCVCQIHRFIVNTLKDGRRVVILMELEVLKSAEAVGVKIGNPVPYNEGLGQPQVAPPAPAASPAASSRPQPQNGSSGMGSTVSKAYGASKTFGKAAGPSLSHTSGGTQSKVVPIASLTPYQSKWTICARVTNKSQIRTWSNSRGEGKLFSLELVDESGEIRATAFNEQVDKFFPLIEVNKVYYFSKGTLKIANKQFTAVKNDYEMTFNNETSVMPCEDDHHLPTVQFDFTGIDDLENKSKDSLVDIIGICKSYEDATKITVRSNNREVAKRNIYLMDTSGKVVTATLWGEDADKFDGSRQPVLAIKGARVSDFGGRSLSVLSSSTIIANPDIPEAYKLRGWFDAEGQALDGVSISDLKSGGVGGSNTNWKTLYEVKSENLGQGDKPDYFSSVATVVYLRKENCMYQACPTQDCNKKVIDQQNGLYRCEKCDTEFPNFKYRMILSVNIADFQENQWVTCFQESAEAILGQNAAYLGELKDKNEQAFEEVFQNANFRSFIFRVRVKVETYNDESRIKATVMDVKPVDYREYGRRLVMSIRRSALM
  
Inhibitor
Name:
BDBM50006723
Synonyms:
CHEMBL3236542
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(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(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:73.77,38.41,13.13,121.129,107.116,58.61,4.3,48.51,wD:62.65,113.121,24.25,129.137,53.56,8.8,c:46,(64.25,-11.74,;62.92,-10.98,;62.92,-9.45,;61.58,-11.74,;61.58,-13.27,;60.26,-14.04,;58.93,-13.27,;58.93,-11.74,;57.61,-14.04,;57.61,-15.58,;56.27,-13.27,;54.95,-14.03,;54.95,-15.58,;53.61,-13.26,;53.61,-11.74,;54.95,-10.96,;54.95,-9.44,;56.28,-8.66,;57.61,-9.44,;57.61,-10.97,;56.28,-11.74,;52.29,-14.03,;50.94,-13.26,;50.94,-11.73,;49.62,-14.03,;49.62,-15.57,;50.94,-16.33,;52.35,-15.72,;53.38,-16.85,;52.6,-18.19,;53.09,-19.65,;52.05,-20.79,;50.55,-20.47,;50.08,-19,;51.1,-17.86,;48.29,-13.26,;46.96,-14.02,;46.96,-15.57,;45.63,-13.25,;46.72,-12.15,;44.86,-11.91,;45.62,-10.58,;44.86,-9.25,;45.62,-7.92,;44.85,-6.6,;31.93,-9.85,;31.54,-11.33,;30.06,-11.74,;29.67,-13.23,;28.89,-11.9,;28.35,-14.01,;27.02,-13.23,;27.02,-11.7,;25.68,-14,;25.68,-15.54,;24.35,-13.22,;23.02,-14,;23.02,-15.53,;21.69,-13.22,;20.36,-14,;19.04,-13.22,;19.04,-11.69,;17.71,-13.99,;17.71,-15.53,;19.04,-16.3,;20.36,-15.53,;21.69,-16.3,;21.69,-17.83,;20.36,-18.6,;19.03,-17.83,;16.38,-13.22,;15.05,-13.99,;15.05,-15.52,;13.71,-13.22,;13.71,-11.68,;15.05,-10.92,;16.38,-11.68,;15.05,-9.38,;12.38,-13.99,;11,-13.17,;11.02,-11.56,;9.59,-13.96,;8.21,-13.13,;6.81,-13.91,;5.42,-13.09,;5.44,-11.47,;6.85,-10.69,;8.24,-11.52,;7.28,-9.13,;8.84,-8.72,;6.15,-7.98,;4.04,-10.64,;2.64,-11.42,;2.62,-13.03,;1.2,-13.82,;-.19,-12.99,;-1.61,-13.77,;-.15,-11.37,;1.26,-10.59,;1.27,-8.97,;2.7,-8.2,;2.72,-6.58,;4.13,-5.79,;4.15,-4.16,;5.52,-6.63,;5.48,-8.24,;4.08,-9.03,;21.69,-11.69,;20.36,-10.93,;23.02,-10.93,;31,-14.01,;31,-15.55,;32.33,-13.24,;33.66,-14.01,;33.66,-15.55,;34.99,-16.31,;36.32,-15.55,;34.99,-17.85,;34.99,-13.24,;34.99,-11.71,;36.32,-14.02,;37.65,-13.24,;37.65,-11.71,;38.98,-10.94,;40.32,-11.71,;38.98,-9.42,;38.98,-14.02,;38.98,-15.56,;40.31,-13.25,;41.64,-14.03,;41.64,-15.56,;42.97,-16.32,;42.97,-17.86,;41.64,-18.63,;44.3,-18.63,;42.97,-13.25,;42.97,-11.72,;44.3,-14.02,;62.92,-14.05,;64.24,-13.28,;62.92,-15.59,)|
Structure:
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