64 SMILES Strings for Endoplasmic reticulum chaperone BiP

Compound Name
SMILES String
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H]1O |r|
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCC2CCCCC2)[C@@H](O)[C@H]1O |r|
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCc2cccnc2)[C@@H](O)[C@H]1O |r|
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCC(N)=O)[C@@H](O)[C@H]1O |r|
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N
c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N
COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(NCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r|
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
[H][C@@]1(C[C@H](O)[C@H](O)[C@@H](C)O1)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@@H](O)C[C@]([H])(O[C@@H]3[C@H](C)CCC[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]4(CC)[C@]5([H])[C@@H](C)C(=O)C[C@H](O)[C@@]5([H])C=C(C)[C@@]4([H])\C(CC)=C/[C@H](CO)C[C@H]3C)O[C@@H]2C)[C@H](O)[C@@H]1OC |r,wU:39.39,60.64,58.61,48.51,36.37,26.27,25.25,71.76,22.23,19.20,18.18,15.16,82.90,80.87,12.13,1.0,3.3,5.5,65.70,wD:51.54,53.56,75.81,31.32,78.85,11.11,7.7,c:45,74,t:34,66,(-10.48,8.45,;-9.55,8.89,;-8.05,8.71,;-7.15,9.97,;-5.93,9.85,;-7.8,11.37,;-7.08,12.37,;-9.33,11.51,;-9.84,12.63,;-10.22,10.26,;-8.91,7.49,;-9.8,6.24,;-11.34,6.38,;-11.76,7.32,;-12.23,5.13,;-11.57,3.76,;-12.49,3.32,;-10.92,2.36,;-11.82,1.1,;-11.18,-.3,;-10.16,-.4,;-12.07,-1.55,;-13.58,-1.37,;-14.51,-1.8,;-12.94,-2.77,;-13.84,-4.03,;-15.24,-3.38,;-14.93,-2.19,;-16.78,-3.28,;-18.25,-3.74,;-19.45,-4.7,;-20.23,-6.03,;-20.45,-4.82,;-21.44,-5.05,;-22.88,-5.6,;-23.83,-4.82,;-23.12,-7.12,;-24.27,-7.56,;-21.93,-8.09,;-20.47,-7.55,;-18.64,-7.59,;-18.05,-9.01,;-16.84,-9.23,;-19.31,-10.34,;-20.15,-9.05,;-21.29,-9.53,;-18.05,-11.24,;-18.57,-12.35,;-16.56,-11.62,;-15.39,-12.62,;-15.58,-13.63,;-17.13,-13.06,;-17.76,-12.25,;-18.66,-13.26,;-19.4,-12.28,;-19.25,-14.68,;-20.47,-14.84,;-18.31,-15.9,;-16.79,-15.7,;-16.04,-16.68,;-16.19,-14.28,;-15.57,-15.1,;-14.67,-14.09,;-14.07,-12.66,;-12.85,-12.5,;-15.03,-11.44,;-14.03,-11.65,;-13.67,-10.72,;-12.7,-11.93,;-11.49,-11.75,;-12.66,-9.55,;-12.15,-8.1,;-10.61,-8.35,;-9.84,-7.39,;-12.18,-6.56,;-12.78,-5.14,;-11.75,-4.47,;-14.25,-0,;-13.35,1.25,;-13.78,2.19,;-10.06,3.58,;-9.64,2.64,;-9.16,4.84,;-7.63,4.69,;-6.92,5.7,)|
Oc1c(Cl)cc(Cl)cc1NC(=O)c1c(O)c(Cl)cc(Cl)c1Cl
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C
CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C
Oc1ccccc1Cc1ccccc1O
c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O
c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)-c1csc(NC(C)=O)n1
CC(C)C(NC(=O)c1cccs1)C(=O)Nc1nccs1
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1ncccn1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1ncc[nH]1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1nccs1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1cnc(C)s1)C(=O)Nc1nccs1 |r|
C[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CC(C)C[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
O=C(Nc1nccs1)[C@H](Cc1ccccc1)NC(=O)c1cccs1 |r|
CC[C@H](C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CC(C)(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CC[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CCC[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CCCC[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 |r|
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccccc1 |r|
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ncco1 |r|
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nncs1 |r|
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccccc2o1 |r|
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(C)c(C)s1 |r|
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccccc2s1 |r|
COC(=O)[C@@H](NC(=O)c1cccs1)C(C)C |r|
CCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C |r|
CC(C)OC(=O)[C@@H](NC(=O)c1cccs1)C(C)C |r|
CCCCOC(=O)[C@@H](NC(=O)c1cccs1)C(C)C |r|
CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nc(C)c(C)s1 |r|
CC(C)[C@H](NC(=O)c1cc2cc(ccc2[nH]1)-n1nnc-2c1-c1ccccc1N(Cc1ccccc-21)C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)c1ccc(C2C3C=CC(=N)C=C3Oc3cc(N)ccc23)c(c1)C(O)=O)C(=O)Nc1nccs1 |r,c:71,75|
C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=C[C@@H]5O[C@@]6(CCC(C)(C)O6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@@H]3[C@@]1(C)C8)O[C@](C)(CO)C[C@H]2O
CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
CC(C)C(CNc1nccs1)NCc1cccs1
CC(C)C(C(=O)N(C)c1nccs1)N(C)C(=O)c1cccs1
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nccs1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|