58 SMILES Strings for Chaperonin GroEL

Compound Name
SMILES String
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(-6.69,-.96,;-5.34,-1.73,;-5.34,-3.28,;-4,-.96,;-4,.55,;-2.67,1.33,;-1.33,.55,;,1.33,;1.33,.55,;2.66,1.33,;4,.55,;4,-.96,;2.66,-1.73,;1.33,-.96,;,-1.73,;-1.33,-.96,;-2.67,-1.73,;5.34,-1.73,;5.34,-3.28,;6.68,-.96,)|
CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O
CC1=CC(=O)c2c(cccc2O)C1=O
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
Cc1c(CCC(O)=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
CCCCCCCCCCCCCCCC[n+]1ccccc1
OC1=CC2=C3c4ccc(O)c(O)c4OCC3(O)CC2=CC1=O |c:3,21,t:1|
[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3ccccc23)c1I
Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCC |c:6|
COc1cc(ccc1\N=N\c1ccc2c(cc(c(N)c2c1O)S(O)(O)[O-])S(O)(O)[O-])-c1ccc(\N=N\c2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c1
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(O4)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C5)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O |r,c:4,56,t:6,35,64|
[H][C@](C)(CC)C1O[C@@]2(C[C@]3([H])C[C@@]([H])(C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@]5([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O3)[C@]45O)O2)C=C[C@@H]1C |c:15,49,58,72,t:47|
c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
CCCCCCCCCc1ccc(O)cc1
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C |r|
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
COc1cc(NC(C)CCCN)c2ncccc2c1
CC1=NCCc2c1[nH]c1cc(O)ccc21 |t:1|
CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Cn1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:34.37,7.7|
Nc1ccc(O)c(c1)C(O)=O
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C |r|
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
[#6]-[#7](-[#6])-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]/[#6](/[#6]=[#6]-1)=[#7+](\[#6])-[#6])\c1ccc(cc1)-[#7](-[#6])-[#6] |c:12,15|
c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O
CCCCCCCCCCCCCCCC[N+](C)(C)C
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl
COc1ccc(cc1)C(=O)\C=C\c1ccccc1
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C |r|
CC(COc1ccccc1)N(CCCl)Cc1ccccc1
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
[H][C@]12CSC(=N1)\C(NC(=O)[C@@]([H])(NC(=O)c1csc(n1)[C@]13CCC(=N[C@]1([H])c1csc(n1)[C@@]([H])(NC(=O)c1csc(n1)[C@@]([H])(NC2=O)[C@@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)c1cc([C@H](C)O)c2C=C[C@@]([H])(N[C@@]([H])([C@@H](C)CC)C(=O)NC(C)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N3)[C@H](O)c2n1)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C\C |r,c:4,25,71|
CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CC1=CC(=O)c2ccccc2C1=O
Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)c2cc1C |r|