91 SMILES Strings for Cysteine proteinase falcipain 3

Compound Name
SMILES String
OCCCc1sc(C=CC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 |w:7.6|
OCCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1
O=CCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1
NC(=O)CCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1
CC(=O)NCCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1
NC(=O)CCc1sc(NC(=O)CSCCCc2ccccc2)nc1\C=C\c1ccccc1
OCc1nc(CCC(=O)CSCCCc2ccccc2)sc1CCc1ccccc1
CC(=O)OCc1nc(CCC(=O)CSCCCc2ccccc2)sc1CCc1ccccc1
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2ccccc12 |r,w:14.14|
CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:14.14|
CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2cc(Cl)ccc12 |r,w:14.14|
CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)Nc2c1cccc2Cl |r,w:14.14|
CC(C)CCNC(=O)[C@H](CC(C)C)N=CC1C(=O)N(C)c2ccccc12 |r,w:14.14|
CC(C)CCNC(=O)CN=CC1C(=O)Nc2ccccc12 |w:10.10|
CC(C)CCNC(=O)[C@H](Cc1ccccc1)N=CC1C(=O)Nc2ccc(Cl)cc12 |r,w:17.18|
CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2c1cccc2Cl |r,w:18.19|
CC(C)CCNC(=O)[C@H](CCc1ccccc1)N=CC1C(=O)Nc2ccccc12 |r,w:18.19|
O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CN1CCOCC1 |r|
CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r|
O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:21|
CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:24|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r|
CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCC(=O)CC1)NC(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r|
CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]1NC(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)OCc1ccccc1 |r,c:19|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 |r|
CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO |r|
CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1COC(C)(C)N1C(=O)OCc1ccccc1 |r|
CC(=O)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
O=C(CSCCCc1ccccc1)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
O=C(NC1(CC1)C#N)[C@H](Cc1cccnc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=CC(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C
COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)C=C[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C
COc1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
CCCCOc1ccc(cc1)-c1nnn(CC(=O)c2ccc(Cl)cc2)n1
Cc1cc(NC(=O)Cn2nnc(n2)-c2ccc(N)cc2)no1
Cc1cc(NC(=O)Cn2nnc(n2)-c2ccccc2NC(=O)c2ccccc2F)no1
COc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1NC(=O)c1ccncc1
CCCCOc1ccc(cc1)-c1nnn(CC(=O)Nc2c(C)ccc3ccccc23)n1
COc1ccc(cc1)-c1ccc(cc1)-c1nnn(CC(=O)c2ccccc2)n1
CC(C(=O)N1c2ccccc2CCc2ccccc12)n1nnc(n1)-c1ccc(cc1)N1CCOCC1
COc1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1
O=C(Cn1nnc(n1)-c1ccccc1)NNC(=O)c1ccco1
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)Nc2cc(C)on2)n1
CN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc4OCOc4c3)ccc12
O=C(NCCCNC(=O)c1ccc(cc1)-c1ccccc1)c1cc2ccccc2[nH]1
CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38|
COc1cccc(C(N2CCN(CC2)c2cnccn2)c2ccc(F)c(F)c2)c1O
COc1cccc(C(N2CCN(CC2)c2cnccn2)c2ccc(cc2)C(F)(F)F)c1O
COc1cccc(C(N2CCN(CC2)c2cnccn2)c2ccc(OC(F)(F)F)cc2)c1O
COc1ccc(cc1)C(N1CCN(CC1)c1cnccn1)c1ccccc1O
Oc1ccccc1C(N1CCN(CC1)c1cnccn1)c1ccc(cc1)C(F)(F)F
Oc1ccccc1C(N1CCN(CC1)c1cnccn1)c1ccc(OC(F)(F)F)cc1
Oc1ccccc1C(N1CCN(CC1)c1cnccn1)c1ccc(Cl)c(Cl)c1
O=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1cccc([N+](=O)[O-])c1
Cc1ccc(C(c2ccccc2O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
Oc1ccccc1C(c1ccc(F)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
Oc1ccccc1C(c1ccc(F)c(F)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
Oc1ccccc1C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
COc1ccc(C(c2cccc(OC)c2O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
COc1cccc(C(c2ccc(F)c(F)c2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O
COc1cccc(C(c2ccc(C(F)(F)F)cc2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O
COc1cccc(C(c2ccc(Cl)c(Cl)c2)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N