SMILES for Serine/threonine-protein kinase haspin [470-798]

4 SMILES Strings for Serine/threonine-protein kinase haspin [470-798]

Compound Name

SMILES String

CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](CCCC[NH3+])C(N)=O |r|

BDBM224010

CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:71.81,16.23,3.3,48.47,50.55,wD:27.70,82.86,7.12,88.91,93.95,36.36,51.51,53.54,(30.59,-14.16,;31.92,-14.93,;33.25,-14.16,;31.92,-16.47,;30.59,-17.24,;29.25,-16.47,;29.25,-14.93,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;26.59,-16.47,;25.25,-17.24,;25.25,-18.78,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;22.58,-17.24,;21.25,-16.47,;21.25,-14.93,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;18.58,-16.47,;17.25,-17.24,;17.25,-18.78,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;14.58,-17.24,;13.25,-16.47,;13.25,-14.93,;11.91,-17.24,;11.91,-18.78,;10.58,-16.47,;33.25,-17.24,;33.25,-18.78,;34.59,-16.47,;35.92,-17.24,;35.92,-18.78,;37.25,-16.47,;37.25,-14.93,;38.59,-17.24,;39.92,-16.47,;39.92,-14.93,;38.59,-14.16,;38.59,-12.62,;37.25,-11.85,;37.25,-10.31,;35.92,-9.54,;34.59,-10.31,;35.92,-8,;34.59,-7.23,;34.59,-5.69,;35.92,-4.92,;37.25,-5.69,;37.25,-7.23,;38.74,-5.29,;39.14,-3.8,;39.83,-6.38,;35.92,-3.38,;34.59,-2.61,;33.25,-3.38,;31.92,-2.61,;31.92,-1.07,;33.25,-.3,;34.59,-1.07,;35.92,-.3,;37.25,-1.07,;38.59,-.3,;39.92,-1.07,;39.92,-2.61,;38.59,-3.38,;37.25,-2.61,;41.26,-.3,;41.26,1.24,;42.59,-1.07,;30.59,-.3,;30.59,1.24,;29.25,-1.07,;41.26,-17.24,;42.59,-16.47,;41.26,-18.78,)|

BDBM224011

CCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(C)O)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:97.107,42.49,29.29,74.73,76.81,117.119,wD:53.96,108.112,33.38,24.24,20.20,62.62,77.77,79.80,(21.25,-5.69,;22.58,-4.92,;23.92,-5.69,;25.25,-4.92,;26.59,-5.69,;27.92,-4.92,;29.25,-5.69,;30.59,-4.92,;31.92,-5.69,;33.25,-4.92,;34.59,-5.69,;34.59,-7.23,;35.92,-8,;35.92,-9.54,;34.59,-10.31,;37.25,-10.31,;37.25,-11.85,;38.59,-12.62,;38.59,-14.16,;39.92,-14.93,;39.92,-16.47,;38.59,-17.24,;37.25,-16.47,;37.25,-14.93,;35.92,-17.24,;35.92,-18.78,;34.59,-16.47,;33.25,-17.24,;33.25,-18.78,;31.92,-16.47,;30.59,-17.24,;29.25,-16.47,;29.25,-14.93,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;26.59,-16.47,;25.25,-17.24,;25.25,-18.78,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;22.58,-17.24,;21.25,-16.47,;21.25,-14.93,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;18.58,-16.47,;17.25,-17.24,;17.25,-18.78,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;14.58,-17.24,;13.25,-16.47,;13.25,-14.93,;11.91,-17.24,;11.91,-18.78,;10.58,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;41.26,-17.24,;41.26,-18.78,;42.59,-16.47,;43.92,-17.24,;43.92,-18.78,;42.59,-19.55,;42.59,-21.09,;41.26,-21.86,;41.26,-23.4,;39.92,-24.17,;38.59,-23.4,;39.92,-25.71,;38.59,-26.48,;38.59,-28.02,;39.92,-28.79,;41.26,-28.02,;41.26,-26.48,;42.74,-28.42,;43.14,-29.91,;43.83,-27.33,;39.92,-30.33,;38.59,-31.1,;37.25,-30.33,;35.92,-31.1,;35.92,-32.64,;37.25,-33.41,;38.59,-32.64,;39.92,-33.41,;41.26,-32.64,;42.59,-33.41,;43.92,-32.64,;43.92,-31.1,;42.59,-30.33,;41.26,-31.1,;45.26,-33.41,;46.59,-32.64,;45.26,-34.95,;34.59,-33.41,;33.25,-32.64,;34.59,-34.95,;45.26,-16.47,;46.59,-17.24,;45.26,-14.93,)|

BDBM224009

C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12)C([O-])=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:6.5,62.64,82.84,38.37,40.45,wD:17.16,1.1,73.75,89.92,94.96,26.26,41.41,43.44,(11.91,-18.78,;11.91,-17.24,;10.58,-16.47,;13.25,-16.47,;13.25,-14.93,;14.58,-17.24,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;17.25,-17.24,;17.25,-18.78,;18.58,-16.47,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;12.28,-31.1,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;21.25,-16.47,;21.25,-14.93,;22.58,-17.24,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;25.25,-17.24,;25.25,-18.78,;26.59,-16.47,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;29.25,-16.47,;29.25,-14.93,;30.59,-17.24,;31.92,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;33.25,-17.24,;33.25,-18.78,;34.59,-16.47,;35.92,-17.24,;35.92,-18.78,;37.25,-16.47,;37.25,-14.93,;38.59,-17.24,;39.92,-16.47,;39.92,-14.93,;38.59,-14.16,;38.59,-12.62,;37.25,-11.85,;37.25,-10.31,;35.92,-9.54,;34.59,-10.31,;35.92,-8,;34.59,-7.23,;34.59,-5.69,;35.92,-4.92,;37.25,-5.69,;37.25,-7.23,;38.74,-5.29,;39.14,-3.8,;39.83,-6.38,;35.92,-3.38,;34.59,-2.61,;33.25,-3.38,;31.92,-2.61,;31.92,-1.07,;33.25,-.3,;34.59,-1.07,;35.92,-.3,;37.25,-1.07,;38.59,-.3,;39.92,-1.07,;39.92,-2.61,;38.59,-3.38,;37.25,-2.61,;41.26,-.3,;41.26,1.24,;42.59,-1.07,;30.59,-.3,;30.59,1.24,;29.25,-1.07,;41.26,-17.24,;42.59,-16.47,;41.26,-18.78,)|