SMILES for Biotin carboxylase

28 SMILES Strings for Biotin carboxylase

Compound Name

SMILES String

CC(C)COc1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N |(50.29,-2.93,;50.29,-4.47,;51.63,-5.24,;48.96,-5.24,;48.96,-6.78,;47.62,-7.55,;46.29,-6.78,;44.95,-7.55,;44.96,-9.1,;46.29,-9.86,;46.3,-11.4,;47.62,-9.09,;48.95,-9.86,;50.28,-9.09,;51.61,-9.86,;52.94,-9.08,;54.28,-9.84,;54.29,-11.39,;55.62,-12.16,;52.95,-12.17,;51.62,-11.4,;50.28,-12.18,;48.95,-11.41,;47.61,-12.39,)|

BDBM32643

CC1(C)CC(=O)c2c(N)ncnc2C1

BDBM32640

CCCCN(Cc1ccccc1)C(=O)c1cnc(N)o1

BDBM50528527

COc1ccc(cn1)-c1cccc(Cl)c1-c1cc2cnc(N)nc2nc1N |(33.87,-5.31,;32.53,-4.54,;31.2,-5.31,;29.85,-4.54,;28.52,-5.31,;28.53,-6.84,;29.86,-7.62,;31.2,-6.85,;27.2,-7.61,;25.87,-6.84,;24.53,-7.61,;24.54,-9.16,;25.87,-9.93,;25.87,-11.47,;27.2,-9.16,;28.53,-9.93,;29.86,-9.15,;31.2,-9.92,;32.52,-9.15,;33.86,-9.91,;33.87,-11.46,;35.21,-12.22,;32.53,-12.23,;31.2,-11.46,;29.86,-12.24,;28.53,-11.47,;27.19,-12.46,)|

BDBM32644

Cc1c(ccc2nc(N)nc(N)c12)-c1ccccc1

BDBM32642

Cc1ccccc1CN(Cc1ccc2OCCOc2c1)C(=O)c1cnc(N)o1

BDBM32647

Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1

BDBM32645

Cc1nc(cs1)-c1ccnc(N)n1

BDBM32649

Cc1nc2nc(N)[nH]c2c(O)c1Cc1ccccc1

BDBM50528515

NC(=O)C1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(24.15,-12.57,;24.71,-11.14,;23.75,-9.94,;26.23,-10.91,;27.32,-12.01,;28.7,-11.32,;28.47,-9.79,;26.94,-9.54,;29.57,-8.71,;30.9,-9.48,;32.23,-8.7,;33.57,-9.46,;34.9,-8.69,;36.24,-9.45,;34.89,-7.14,;33.56,-6.38,;32.23,-7.15,;30.9,-6.39,;29.57,-7.16,;28.24,-6.39,;28.24,-4.85,;29.57,-4.08,;26.91,-4.08,;25.57,-4.85,;25.58,-6.4,;26.91,-7.16,;26.96,-8.6,)|

BDBM50528521

NCC1(F)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(5.94,-28.39,;6.5,-26.95,;8.03,-26.72,;7.24,-25.38,;9.11,-27.82,;10.49,-27.13,;10.26,-25.61,;8.74,-25.35,;11.36,-24.52,;12.69,-25.29,;14.02,-24.51,;15.36,-25.28,;16.69,-24.51,;18.03,-25.27,;16.68,-22.96,;15.35,-22.2,;14.02,-22.97,;12.69,-22.21,;11.36,-22.98,;10.03,-22.21,;10.03,-20.67,;11.37,-19.9,;8.7,-19.9,;7.37,-20.67,;7.37,-22.22,;8.7,-22.98,;8.75,-24.42,)|

BDBM50528522

NCC1(O)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(26.75,-27.06,;27.31,-25.63,;28.83,-25.4,;28.05,-24.05,;29.91,-26.49,;31.29,-25.8,;31.06,-24.28,;29.54,-24.03,;32.16,-23.19,;33.49,-23.96,;34.83,-23.19,;36.16,-23.95,;37.49,-23.18,;38.83,-23.94,;37.48,-21.63,;36.15,-20.87,;34.82,-21.64,;33.49,-20.88,;32.16,-21.65,;30.83,-20.88,;30.84,-19.34,;32.17,-18.57,;29.5,-18.57,;28.17,-19.34,;28.18,-20.89,;29.51,-21.65,;29.55,-23.09,)|

BDBM50528516

NCC1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(46.99,-26.96,;47.55,-25.52,;49.07,-25.29,;50.15,-26.39,;51.53,-25.7,;51.3,-24.17,;49.78,-23.92,;52.4,-23.09,;53.74,-23.86,;55.07,-23.08,;56.4,-23.85,;57.74,-23.08,;59.07,-23.84,;57.73,-21.53,;56.39,-20.77,;55.07,-21.54,;53.73,-20.78,;52.4,-21.55,;51.07,-20.78,;51.08,-19.24,;52.41,-18.47,;49.75,-18.47,;48.41,-19.24,;48.42,-20.78,;49.75,-21.55,;49.79,-22.99,)|

BDBM50528517

NCC1CCN(CC1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(66.79,-27.45,;68.28,-27.86,;69.38,-26.78,;69,-25.29,;70.09,-24.21,;71.58,-24.62,;71.98,-26.11,;70.87,-27.2,;72.68,-23.54,;74.02,-24.31,;75.35,-23.53,;76.69,-24.3,;78.02,-23.52,;79.36,-24.29,;78.01,-21.97,;76.68,-21.21,;75.35,-21.99,;74.01,-21.22,;72.69,-21.99,;71.36,-21.23,;71.36,-19.68,;72.69,-18.91,;70.03,-18.91,;68.69,-19.68,;68.7,-21.23,;70.03,-21.99,;70.03,-23.53,)|

BDBM32650

Nc1nc(N)nc(OCCOc2ccccc2)n1

BDBM32646

Nc1nc(cs1)-c1ccnc(N)n1

BDBM32641

Nc1ncc(o1)C(=O)N(Cc1ccccc1)Cc1ccccc1

BDBM32639

Nc1ncc(o1)C(=O)c1cccc(Br)c1

BDBM3436

Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br |(-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|

BDBM50528519

Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1-c1cccnc1 |(16.78,-11.99,;15.44,-11.22,;15.43,-9.67,;14.1,-8.91,;12.77,-9.69,;11.43,-8.92,;10.1,-9.69,;10.1,-11.24,;8.76,-12.23,;11.44,-12.01,;12.77,-11.23,;14.11,-12,;8.77,-8.92,;7.44,-9.69,;7.45,-11.23,;6.11,-8.93,;6.1,-7.38,;7.44,-6.61,;8.77,-7.38,;10.1,-6.61,;10.1,-5.08,;11.43,-4.3,;12.77,-5.07,;12.77,-6.62,;11.43,-7.39,)|

BDBM3429

Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|

BDBM50528524

Nc1ncc2cc(c(N)nc2n1)-c1ccccc1-c1ccccc1

BDBM50528518

Nc1ncc2cc(c(N)nc2n1)-c1ccccc1-c1cccnc1

BDBM50528523

Nc1ncc2cc(c(nc2n1)N1CCC(CO)C1)-c1c(Cl)cccc1Cl |(54.92,-9.04,;53.59,-8.28,;53.58,-6.73,;52.24,-5.97,;50.92,-6.74,;49.58,-5.98,;48.25,-6.75,;48.25,-8.29,;49.59,-9.06,;50.92,-8.28,;52.25,-9.05,;47.15,-9.37,;47.38,-10.9,;46,-11.59,;44.92,-10.49,;43.4,-10.72,;42.84,-12.16,;45.63,-9.12,;46.93,-5.98,;46.93,-4.44,;48.26,-3.67,;45.6,-3.67,;44.26,-4.44,;44.27,-5.99,;45.6,-6.75,;45.64,-8.19,)|

BDBM50528525

Nc1ncc2cc(c(nc2n1)N1CCC(N)(CO)C1)-c1c(Cl)cccc1Cl |(76.72,-8.93,;75.38,-8.17,;75.37,-6.62,;74.04,-5.86,;72.71,-6.63,;71.38,-5.87,;70.05,-6.64,;70.05,-8.18,;71.38,-8.95,;72.71,-8.17,;74.05,-8.94,;68.95,-9.26,;69.18,-10.79,;67.8,-11.48,;66.72,-10.38,;65.62,-9.28,;65.2,-10.61,;64.64,-12.05,;67.43,-9.01,;68.72,-5.87,;68.72,-4.33,;70.06,-3.56,;67.39,-3.56,;66.06,-4.33,;66.06,-5.88,;67.4,-6.64,;67.44,-8.08,)|

BDBM32648

Nc1nccc(n1)C(=O)c1ccccc1

BDBM32651

[#6]\[#6](-[#6])=[#6]/[#6]-n1cnc(-[#7])c2ncnc12

BDBM50528526

[H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |r,wU:7.9,5.6,1.0,(7.68,-40.79,;8.85,-41.8,;9.56,-40.43,;11.08,-40.68,;11.31,-42.2,;9.94,-42.89,;10.94,-44.05,;8.44,-43.29,;7.35,-44.37,;12.18,-39.59,;13.51,-40.36,;14.85,-39.59,;16.18,-40.35,;17.51,-39.58,;18.85,-40.34,;17.5,-38.03,;16.17,-37.27,;14.84,-38.04,;13.51,-37.28,;12.18,-38.05,;10.86,-37.28,;10.86,-35.74,;12.19,-34.98,;9.53,-34.97,;8.19,-35.74,;8.2,-37.29,;9.53,-38.05,;9.57,-39.49,)|