SMILES for Tyrosine-protein kinase JAK2 [536-812,W659A,W777A,F794H]

70 SMILES Strings for Tyrosine-protein kinase JAK2 [536-812,W659A,W777A,F794H]

Compound Name

SMILES String

BDBM620487

CC(=O)N1CC[C@@H](C1)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)-c1ccccc1 |r|

BDBM604315

CC(C(N)=O)n1cc(cn1)-c1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)C(C)(C)C)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604304

CC1N(C(=O)N(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604308

CCC(=O)c1ccc(cc1)N1Cc2c(NC1=O)cnc1[nH]c(c(-c3ccc(OC)cc3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620466

CCc1c(-c2ccc(cc2)C(O)=O)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620465

CCn1c2cnc3[nH]c(cc3c2cc(-c2ccc(cc2)C(O)=O)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620494

CN(C)C(=O)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1)-c1ccc(cc1)C1(CC1)C#N

BDBM620493

CN(C)C(=O)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1)-c1ccc2n(C)ncc2c1

BDBM620488

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(NC4CCC(CC#N)CC4)cc3c12)-c1cnn(C)c1 |(4.87,.56,;3.78,1.65,;4.55,2.98,;2.27,1.33,;1.18,2.42,;1.8,-.14,;.29,-.46,;-.19,-1.92,;.85,-3.06,;2.35,-2.74,;2.83,-1.28,;.37,-4.53,;1.27,-5.78,;.37,-7.02,;-1.1,-6.55,;-2.43,-7.31,;-3.76,-6.55,;-3.76,-5.01,;-5.1,-4.24,;-6.43,-5.01,;-5.1,-2.7,;-6.43,-1.93,;-3.76,-1.93,;-3.76,-.39,;-3.76,1.15,;-2.43,1.92,;-2.43,3.46,;-3.76,4.23,;-3.76,5.77,;-2.43,6.54,;-1.1,7.31,;-5.1,3.46,;-5.1,1.92,;-2.43,-2.7,;-2.43,-4.24,;-1.1,-5.01,;2.81,-5.78,;3.72,-7.02,;5.18,-6.55,;5.18,-5.01,;6.43,-4.1,;3.72,-4.53,)|

BDBM620485

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(Nc4ccc(Cc5nnn[nH]5)cc4)cc3c12)-c1cnn(C)c1

BDBM620484

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(Nc4cccc(c4)-c4nnn[nH]4)cc3c12)-c1cnn(C)c1

BDBM620486

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)-c1cnccc1C)-c1cnn(C)c1

BDBM620489

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)N1CCC(CC1)S(C)(=O)=O)-c1cnn(C)c1

BDBM620491

CN(C)C(=O)c1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)N1CCC2(CCOC2)CC1)-c1cnn(C)c1

BDBM604312

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(CNC(C)=O)cc3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)C(C)(C)C

BDBM604310

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(cc3)C(=O)NCC3(CC3)C#N)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)C(C)(C)C

BDBM604317

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(cc3)C3(N)CC3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604314

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccc(cc3)N3CCN(CC3)C(C)=O)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)C(C)(C)C

BDBM604318

CN1C(=O)N(Cc2c1cnc1[nH]c(c(-c3ccn(C)c3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604320

CN1C(=O)N(Cc2c1cnc1[nH]c(c(C#N)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604316

CN1C(=O)N(Cc2c1cnc1[nH]c(c(C3=CCN(CC3)C(C)=O)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O |t:15|

BDBM604319

CN1C(=O)N(Cc2c1cnc1[nH]c(c(C3CC3)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604321

CN1C(=O)N(Cc2c1cnc1[nH]c(c(I)c21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604297

CN1C(=O)N(Cc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(NC(=O)CC#N)cc1

BDBM604258

CN1C(=O)N(Cc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccc(cc1)C(O)=O

BDBM604254

CN1C(=O)N(Cc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1)c1ccccc1

BDBM604253

CN1C(=O)NCc2c1cnc1[nH]c(cc21)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604313

CNS(=O)(=O)c1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)C(C)(C)C)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604311

COC(=O)c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(O)=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620472

COC1CCC(CC1)c1c(-c2cc(C)no2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1 |(4.24,1.66,;2.91,2.43,;1.57,1.66,;1.57,.12,;.24,-.65,;-1.1,.12,;-1.1,1.66,;.24,2.43,;-2.43,-.65,;-3.76,.12,;-3.76,1.66,;-5.01,2.56,;-4.53,4.03,;-5.44,5.27,;-2.99,4.03,;-2.52,2.56,;-5.1,-.65,;-6.43,.12,;-5.1,-2.19,;-6.43,-2.96,;-3.76,-2.96,;-3.76,-4.5,;-2.43,-5.27,;-1.1,-4.5,;.37,-4.98,;1.27,-3.73,;.37,-2.49,;-1.1,-2.96,;-2.43,-2.19,;2.81,-3.73,;3.72,-4.98,;5.18,-4.5,;5.18,-2.96,;6.43,-2.06,;3.72,-2.49,)|

BDBM620474

COC1CCC(CC1)c1cc(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1 |(4.2,3.08,;2.86,3.85,;1.53,3.08,;1.53,1.54,;.19,.77,;-1.14,1.54,;-1.14,3.08,;.19,3.85,;-2.47,.77,;-3.81,1.54,;-5.14,.77,;-6.47,1.54,;-5.14,-.77,;-6.47,-1.54,;-3.81,-1.54,;-3.81,-3.08,;-2.47,-3.85,;-1.14,-3.08,;.33,-3.56,;1.23,-2.31,;.33,-1.06,;-1.14,-1.54,;-2.47,-.77,;2.77,-2.31,;3.68,-3.56,;5.14,-3.08,;5.14,-1.54,;6.47,-.77,;3.68,-1.06,)|

BDBM620479

COCCN(C)c1ccc(cc1)-c1c(-c2cc(C)no2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1

BDBM604290

COCCNc1ccc(cc1)N1Cc2c(cnc3[nH]c(cc23)-c2ccc(CN3CCC(CC3)S(C)(=O)=O)cc2)N(C)C1=O

BDBM620490

COCCS(=O)(=O)C1CCN(CC1)c1cc2c3c(c([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1)-c1ccc(cc1)C(=O)N(C)C

BDBM620477

COCc1ccc(cc1)-c1c(-c2cc(C)no2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1cnn(C)c1

BDBM620470

COc1c(-c2ccccc2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620462

COc1ccc(cc1)-c1c(C)c2c3cc([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604309

COc1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(=O)NCC(=O)NNCc1ccccc1)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604307

COc1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(=O)Nc1cccnc1)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM604322

COc1ccc(cc1)-c1c([nH]c2ncc3N(C)C(=O)N(Cc3c12)c1ccc(cc1)C(O)=O)C1CC1

BDBM620492

COc1ccc(cc1)-c1c([nH]c2ncc3n(C)c(=O)c(cc3c12)C(=O)N(C)C)-c1cnn(C)c1

BDBM620452

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)-c3ccc(cc3)C(O)=O)[nH]2)CC1

BDBM620451

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)-c3ccccc3)[nH]2)CC1

BDBM620455

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)-c3nnn[nH]3)[nH]2)CC1

BDBM620453

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c(ncc4[nH]c(=O)c(cc34)C#N)[nH]2)CC1

BDBM604274

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(C5CCC(CC5)C(O)=O)C(=O)Nc4cnc3[nH]2)CC1 |(11.83,12.4,;11.88,10.86,;10.34,10.81,;13.41,10.91,;11.92,9.32,;13.28,8.6,;13.33,7.06,;12.02,6.24,;12.07,4.71,;10.76,3.89,;10.81,2.35,;9.5,1.54,;8.14,2.27,;8.09,3.81,;9.4,4.62,;6.83,1.46,;5.41,2.04,;4.41,.87,;2.87,.82,;2.06,2.13,;.52,2.08,;-.29,3.39,;-1.83,3.34,;-2.64,4.65,;-1.91,6.01,;-.37,6.05,;.44,4.75,;-2.72,7.31,;-1.99,8.67,;-4.26,7.27,;-.21,.72,;-1.74,.67,;.61,-.59,;2.14,-.54,;2.96,-1.85,;4.5,-1.8,;5.22,-.44,;6.72,-.08,;10.66,6.97,;10.61,8.51,)|

BDBM604269

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(C5CCCCC5)C(=O)Nc4cnc3[nH]2)CC1

BDBM604287

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(C5CCN(CC5)S(N)(=O)=O)C(=O)Nc4cnc3[nH]2)CC1

BDBM604262

CS(=O)(=O)C1CCN(Cc2ccc(cc2)-c2cc3c4CN(Cc5cccnc5)C(=O)Nc4cnc3[nH]2)CC1

BDBM620460

Cc1c(-c2ccc(Cl)cc2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620457

Cc1c(-c2ccc(cc2)-n2cnnn2)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620463

Cc1c(-c2ccc(cc2)C#N)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620456

Cc1c(-c2ccc(cc2)C(O)=O)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620458

Cc1c(-c2ccc(cc2)C(O)=O)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620468

Cc1c(-c2ccc(cc2)[N+]([O-])=O)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620469

Cc1c(-c2ccc3OCCOc3c2)c(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620461

Cc1c(-c2cccc(Cl)c2)c(=O)n(C)c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620467

Cc1cc(=O)[nH]c2cnc3[nH]c(cc3c12)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620478

Cc1cc(on1)-c1c(-c2ccc(CNC3CCCOC3)cc2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620480

Cc1cc(on1)-c1c(-c2ccc(NC3CCOCC3)cc2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620481

Cc1cc(on1)-c1c(-c2ccc(cc2)-c2cnn(C)c2C)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620482

Cc1cc(on1)-c1c(-c2ccc(cc2)-c2cnn(C)c2CO)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620475

Cc1cc(on1)-c1c(-c2ccc(cc2)C(=O)NCCO)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620476

Cc1cc(on1)-c1c(-c2ccc(cc2)C(=O)Nc2ccc3oc(C)nc3c2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620473

Cc1cc(on1)-c1c(-c2ccccc2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620483

Cc1cc(on1)-c1c(C2CCN(C2)S(C)(=O)=O)c2c3cc([nH]c3ncc2n(C)c1=O)-c1cnn(C)c1

BDBM620471

Cc1cc(on1)-c1c(C2CCOCC2)c2c3cc([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620459

Cc1ccc(cc1)-c1c(C)c2c3cc([nH]c3ncc2n(C)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620464

Cn1c2cnc3[nH]c(cc3c2cc(-c2ccc(cc2)C(O)=O)c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1

BDBM620454

Cn1nccc1-c1cc2c3cc([nH]c3ncc2[nH]c1=O)-c1ccc(CN2CCC(CC2)S(C)(=O)=O)cc1