Reaction Details  Report a problem with these data
Target
Replication protein A 70 kDa DNA-binding subunit
Ligand
BDBM50006676
Substrate
n/a
Meas. Tech.
ChEMBL_1336209 (CHEMBL3241316)
Kd
580±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:
BDBM50006676
Synonyms:
CHEMBL3236298
Type:
Small organic molecule
Emp. Form.:
C97H115N17O30S
Mol. Mass.:
2031.112
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@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r,wU:38.41,4.3,134.143,13.13,56.59,100.104,72.75,85.88,wD:64.67,140.148,8.8,80.83,24.25,47.50,89.92,(65.98,-14.77,;65.98,-16.31,;67.32,-17.08,;64.64,-17.08,;64.64,-18.61,;63.31,-19.39,;61.97,-18.61,;61.97,-17.07,;60.65,-19.38,;60.65,-20.92,;59.3,-18.61,;57.98,-19.38,;57.98,-20.92,;56.65,-18.6,;56.65,-17.07,;57.98,-16.3,;59.31,-17.07,;60.65,-16.31,;60.65,-14.77,;59.31,-13.99,;57.99,-14.76,;55.32,-19.37,;53.98,-18.6,;53.98,-17.06,;52.65,-19.37,;52.65,-20.91,;53.98,-21.68,;55.38,-21.06,;56.41,-22.21,;55.64,-23.54,;56.12,-25,;55.09,-26.15,;53.58,-25.83,;53.1,-24.36,;54.13,-23.21,;51.31,-18.6,;49.98,-19.37,;49.98,-20.91,;48.64,-18.59,;48.64,-17.06,;49.98,-16.29,;49.98,-14.75,;48.65,-13.98,;51.32,-13.98,;47.32,-19.36,;45.98,-18.59,;45.98,-17.05,;44.65,-19.36,;44.65,-20.9,;45.98,-21.67,;45.98,-23.21,;44.64,-23.99,;47.31,-23.98,;43.31,-18.59,;41.98,-19.36,;41.98,-20.9,;40.65,-18.58,;40.65,-17.05,;41.98,-16.28,;41.98,-14.74,;43.32,-17.05,;39.31,-19.35,;37.99,-18.58,;37.99,-17.04,;36.66,-19.35,;36.66,-20.89,;37.99,-21.66,;39.31,-20.89,;37.99,-23.2,;35.32,-18.58,;33.99,-19.35,;33.99,-20.89,;32.65,-18.58,;32.65,-17.04,;33.99,-16.27,;35.33,-17.04,;33.99,-14.73,;31.32,-19.34,;29.98,-18.58,;29.98,-17.03,;28.65,-19.35,;28.65,-20.88,;27.32,-18.57,;25.99,-19.35,;25.99,-20.89,;24.65,-18.57,;23.32,-19.34,;21.99,-18.57,;21.99,-17.03,;20.66,-19.34,;20.66,-20.88,;21.99,-21.65,;23.31,-20.89,;24.64,-21.66,;24.63,-23.2,;23.29,-23.97,;21.98,-23.19,;19.32,-18.57,;17.99,-19.34,;17.99,-20.88,;16.66,-18.57,;16.66,-17.02,;18,-16.26,;19.32,-17.03,;18,-14.72,;15.33,-19.34,;14.01,-18.55,;14.03,-17.01,;12.67,-19.3,;11.34,-18.52,;10.01,-19.26,;8.69,-18.47,;8.7,-16.93,;10.05,-16.18,;11.38,-16.97,;10.46,-14.7,;11.95,-14.31,;9.38,-13.6,;7.37,-16.14,;6.04,-16.88,;6.02,-18.42,;4.66,-19.17,;3.34,-18.38,;1.98,-19.13,;3.37,-16.84,;4.71,-16.09,;4.73,-14.55,;6.09,-13.81,;6.11,-12.26,;7.46,-11.51,;7.47,-9.95,;8.78,-12.31,;8.75,-13.84,;7.4,-14.6,;24.65,-17.03,;23.32,-16.26,;25.99,-16.26,;65.98,-19.39,;65.98,-20.93,;67.31,-18.62,;68.64,-19.39,;68.64,-20.93,;69.97,-18.62,;71.31,-19.4,;69.97,-17.08,)|
Structure:
Search PDB for entries with ligand similarity: