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15 SMILES Strings for Interlukin-2-inducible tyrosine kinase (Itk)

Compound NameSMILES String
BDBM213212 O[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r,wU:1.0,wD:4.7,(1.15,-4.55,;-.18,-3.78,;-1.51,-4.55,;-2.85,-3.78,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-4.18,-1.47,;-4.18,.07,;-5.51,.84,;-5.51,2.38,;-6.85,3.15,;-6.85,4.69,;-5.51,5.46,;-5.51,7,;-6.85,7.77,;-8.18,7,;-8.18,5.46,;-4.18,3.15,;-2.85,2.38,;-1.51,3.15,;-.18,2.38,;1.23,3.01,;2.26,1.87,;3.8,1.87,;4.57,.53,;3.8,-.8,;2.26,-.8,;1.49,.53,;-.02,.85,;-2.85,.84,)|
BDBM213213 C=CC(=O)NCCNc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1
BDBM50062938 C[C@H](NCc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1)C(C)(C)C |r|
BDBM213214 C=CC(=O)N1CCC(CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1
BDBM213215 C=CC(=O)N[C@H]1CCCC[C@H]1Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
BDBM213216 C=CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r,wU:5.4,wD:8.11,(-13.52,-3.78,;-12.18,-4.55,;-10.85,-3.78,;-10.85,-2.24,;-9.51,-4.55,;-8.18,-3.78,;-8.18,-2.24,;-6.85,-1.47,;-5.51,-2.24,;-5.51,-3.78,;-6.85,-4.55,;-4.18,-1.47,;-4.18,.07,;-5.51,.84,;-5.51,2.38,;-6.85,3.15,;-6.85,4.69,;-5.51,5.46,;-5.51,7,;-6.85,7.77,;-8.18,7,;-8.18,5.46,;-4.18,3.15,;-2.85,2.38,;-1.51,3.15,;-.18,2.38,;1.23,3.01,;2.26,1.87,;3.8,1.87,;4.57,.53,;3.8,-.8,;2.26,-.8,;1.49,.53,;-.02,.85,;-2.85,.84,)|
BDBM213217 C=CC(=O)N[C@H]1CCC[C@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
BDBM213218 C=CC(=O)N1CC[C@@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
BDBM213220 C[C@H]1CN(Cc2cc(N[C@H]3CCN(C3)C(=O)C=C)nc(Nc3nc4cccnc4s3)c2)C[C@@H](C)O1 |r|
BDBM213221 C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCCCC2)cc(Nc2nc3cccnc3s2)n1 |r|
BDBM213222 CN(C)Cc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1 |r|
BDBM213223 C[C@@H](NCc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1)C(C)(C)C |r|
BDBM213224 C=CC(=O)N1CC[C@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|
BDBM213226 C\C=C\C(=O)N1CC[C@@H](C1)Nc1cc(CN2C[C@H](C)O[C@H](C)C2)cc(Nc2nc3cccnc3s2)n1 |r|
BDBM213219 C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r|