SMILES for Peptidyl-prolyl cis-trans isomerase D

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|

BDBM50339005

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\c2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r,wU:6.53,9.9,98.121,102.107,70.75,84.89,wD:2.1,89.94,53.58,61.66,7.7,79.84,(18.81,-10.51,;17.47,-11.27,;16.14,-10.5,;14.2,-13.26,;15.53,-14.02,;16.86,-13.24,;15.54,-15.56,;14.21,-16.34,;14.22,-17.88,;12.87,-15.58,;12.87,-14.04,;11.54,-16.35,;10.21,-15.59,;8.88,-16.37,;7.54,-15.6,;7.53,-14.06,;6.2,-13.3,;4.86,-14.08,;3.53,-13.31,;2.2,-14.09,;.86,-13.33,;.85,-11.79,;-.47,-14.11,;-.45,-15.64,;-1.78,-16.42,;-3.12,-15.66,;-3.13,-14.12,;-1.8,-13.34,;-3.91,-12.79,;-5.45,-12.8,;-3.15,-11.45,;-4.45,-16.45,;-4.43,-17.98,;-3.1,-18.74,;-3.09,-20.28,;-4.42,-21.06,;-4.42,-22.6,;-5.76,-20.29,;-5.76,-18.76,;-7.1,-18,;-7.11,-16.46,;-8.44,-15.71,;-8.45,-14.18,;-9.8,-13.42,;-7.14,-13.4,;-5.81,-14.15,;-5.79,-15.68,;4.88,-15.62,;6.21,-16.38,;16.88,-16.32,;17.99,-14.4,;17.28,-17.81,;16.19,-18.9,;18.77,-18.21,;19.53,-16.87,;18.75,-15.54,;21.07,-16.86,;18.76,-19.75,;17.42,-20.51,;20.09,-20.53,;20.08,-22.07,;21.43,-19.76,;21.44,-18.22,;22.52,-17.12,;24.06,-17.12,;21.92,-15.7,;22.76,-20.54,;22.75,-22.08,;24.09,-19.78,;24.1,-18.24,;25.42,-20.55,;25.42,-22.09,;24.63,-23.42,;23.09,-23.4,;25.39,-24.76,;26.76,-19.79,;26.77,-18.25,;28.09,-20.57,;28.08,-22.11,;29.43,-19.8,;30.76,-20.58,;29.44,-18.26,;30.77,-17.5,;32.1,-18.28,;30.78,-15.96,;32.12,-15.2,;29.45,-15.18,;29.46,-13.64,;30.8,-12.88,;28.13,-12.87,;26.79,-13.63,;26.79,-15.17,;25.45,-15.93,;28.12,-15.95,;28.14,-11.33,;29.48,-10.56,;26.81,-10.55,;25.47,-11.31,;26.82,-9.01,;25.49,-8.23,;24.15,-9,;24.14,-10.54,;22.82,-8.22,;22.83,-6.68,;24.16,-5.92,;24.17,-4.38,;25.49,-6.69,;21.48,-8.98,;21.47,-10.52,;20.15,-8.21,;20.16,-6.67,;18.81,-8.97,;17.48,-8.19,;17.49,-6.65,;16.15,-8.96,;14.82,-8.18,;28.15,-8.25,;28.16,-6.71,;29.48,-9.02,)|

BDBM140001

COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1

BDBM140008

CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC

BDBM50164677

CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1 |r|

BDBM50164676

CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCC[C@@H]1c1ccccc1SC |r|

BDBM50164666

CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCC[C@H]1c1ccccc1SC |r|

BDBM140007

CSc1ccccc1C1CCCN1C(=O)C(C)NC(=O)NCc1ccc(N)cc1

BDBM140006

CSc1ccccc1C1CCCN1C(=O)C(CC(C)C)NC(=O)NCc1ccc(N)cc1

BDBM140005

CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1

BDBM50164667

CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 |r|

BDBM50516096

CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc2NCCCc2c1 |r|

BDBM92913

Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O

BDBM50516085

Nc1ccc(CCNC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)cc1 |TLB:12:14:16.17:19,THB:21:20:16.17:19|

BDBM394277

Nc1ccc(CCNC(=O)CN2C(=O)C3CCCCC3C2=O)cc1

BDBM50516087

Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)cc1 |TLB:11:13:15.16:18,THB:20:19:15.16:18|

BDBM394278

Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(O4)C3C2=O)cc1

BDBM50164673

Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1

BDBM140002

Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1

BDBM140004

Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Br)cc1

BDBM140003

Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Cl)cc1

BDBM50164668

Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 |r|

BDBM50164670

Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2Br)cc1 |r|

BDBM394275

Nc1ccc(cc1)C1(CC1)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O |r|

BDBM50516080

O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2NCCCc2c1

BDBM394279

O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCCc1ccc2NCCCc2c1 |r|

BDBM394272

O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r|

BDBM394270

O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)C4[C@@H]5CCC(C5)[C@H]4C3=O)cc21 |r|

BDBM394273

O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc21 |r|

BDBM92912

Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12

BDBM50516082

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r|

BDBM50516088

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCCC3)ccc1N2 |r|

BDBM50516086

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r|

BDBM50516099

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCC[C@H]3c3ccccc3SC)ccc1N2 |r|

BDBM50516093

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)N(C)CC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r|

BDBM50516083

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r|

BDBM50516094

[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@H]3c3ccccc3SC)ccc1N2 |r|

BDBM50516084

[H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(CC(=O)NCc3ccc4N[C@]5([H])C[C@@]([H])(OC[C@H]5O)c4c3)C(=O)[C@@]21[H] |r|

BDBM50516097

[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CC(=O)NCc3ccc4NCCC(=O)N(CC)Cc4c3)C(=O)[C@]21[H] |r|

BDBM50516098

[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CC(=O)NCc3ccc4N[C@]5([H])C[C@@]([H])(OC[C@H]5O)c4c3)C(=O)[C@]21[H] |r|

BDBM50516092

[H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CCC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r|

BDBM50516081

[H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r|

BDBM50516101

[H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CNC(=O)C(=O)N3CCCC3)ccc1N2 |r|

BDBM50516095

[H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r|

BDBM394280

[O-][N+](=O)c1ccc(CCNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1 |r|

BDBM394274

[O-][N+](=O)c1ccc(CNC(=O)CN2C(=O)C3[C@@H]4CCC(C4)[C@@H]3C2=O)cc1 |r|