100 SMILES Strings for Plasmepsin IV [1-448]

Compound Name
SMILES String
CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1 |w:2.1|
COc1ccc(cc1)C1(NC(=O)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCN(C)CC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
CC(C)C[C@H](N1C(=O)c2ccc(C)cc2C1=O)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N2C(=O)c3ccc(C)cc3C2=O)CC1 |r|
CC[C@H](C)[C@H](N1C(=O)c2ccc(C)cc2C1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccc(C)cc3C2=O)CC1 |r|
Cc1ccc2C(=O)N(CC(=O)N[C@H](Cc3ccccc3)[C@@H](O)CN3CCN(C[C@@H](O)[C@H](Cc4ccccc4)NC(=O)CN4C(=O)c5ccc(C)cc5C4=O)CC3)C(=O)c2c1 |r|
Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1
CCCCCCCCc1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O
Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCc2ccccc2)cc1 |r|
Nc1nc2cc(cc(-c3cccc(c3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1
Nc1cccc(c1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1
Nc1nc2cc(cc(-c3ccncc3)c2c(=O)n1CC1CCCO1)-c1ccccc1
Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1
CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r|
Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O
Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1-c1ccc(cc1)C(O)=O
NC(=O)c1ccc(cc1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1
CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1
Nc1nc2cc(cc(-c3cccnc3)c2c(=O)n1CC1CCCO1)-c1ccccc1
Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC(C)(C)OC)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCOC(C)(C)C)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)NCCC(F)(F)F |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CCO)CCO)N1CCCCC1 |r|
COCCN(CCOC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCC(F)(F)F)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC(C)(C)O)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCN(C)C)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC(C)(C)C)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NC(C)(C)CO)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC1CCCCC1)N1CCCCC1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(Cl)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)C#N |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCO)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CC(C)C)CC(C)C)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC1CC1)N1CCCCC1 |r|
CCN(CC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCCO)N1CCCCC1 |r|
CCCN(CCC)C(=O)c1cc(F)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(C)C)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CCC(F)(F)F)CCC(F)(F)F)N1CCCCC1 |r|
COCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N1CCCCC1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)NCC(C)(C)C |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r|
COc1cc2C3CCC(N3)c2cc1OCCc1cccc2ccccc12
CCCCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:27:26:25:23.22,THB:17:20:25:23.22|
[H][C@@]12CC[C@@]([H])(N1)[C@@H]([C@@H]2NCc1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1
C(CSc1nc2ccccc2s1)Oc1cc2C3CCC(N3)c2cc1OCCc1cccc2ccccc12
CCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:20:19:18:16.15,THB:10:13:18:16.15|
CCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:21:20:19:17.16,THB:11:14:19:17.16|
CCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:23:22:21:19.18,THB:13:16:21:19.18|
CCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:24:23:22:20.19,THB:14:17:22:20.19|
CCCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:26:25:24:22.21,THB:16:19:24:22.21|
O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5|
CC(C)CCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:23:22:21:19.18,THB:13:16:21:19.18|
O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5|
C(CSc1nc2ccccc2s1)Cc1cc2C3CCC(N3)c2cc1OCCc1cccc2ccccc12
Clc1ccc2sc(SCCCc3cc4C5CCC(N5)c4cc3OCCc3cccc4ccccc34)nc2c1
CCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:22:21:20:18.17,THB:12:15:20:18.17|
CCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:25:24:23:21.20,THB:15:18:23:21.20|
O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5|
CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1)C1CCN(CCC(C)C)CC1
CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)N(C)c3ccncc3)C4CCN(CC4)CCC(C)C
CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1cc(Cl)ccc1Cl)C1CCN(CCC(C)C)CC1
CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1)C1CCN(CCC(C)C)CC1
Clc1ccc2sc(SCCCc3ccc(OC4C5CCC(N5)C4OCc4ccc5ccccc5c4)cc3)nc2c1
CCCCCc1ccc(cc1)S(=O)(=O)C1C(NCc2ccc3ccccc3c2)C2CC(CNC3CCCC3)C1N2
Nc1ccc(cc1)C(=O)CCC1CNCC=C(COC(=O)c2ccc3ccccc3c2)C1 |t:16|
CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(Nc2cc(C)nc3ccccc23)cc1)C1CCN(CCC(C)C)CC1
CCCCCc1ccc(cc1)N(C[C@@H]1CCC(=O)C(F)(F)C1)C(=O)Cc1ccc2ccccc2c1 |r|
O=C(Cc1ccccc1)N(Cc1ccccc1)C1CNCC1N(Cc1ccccc1)C(=O)Cc1ccccc1
CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(CC(=O)OC)cc1)C1CCN(Cc2ncc[nH]2)CC1
C(CSc1nc2ccccc2s1)Oc1ccc(OC2C3CCC(N3)C2OCc2ccc3ccccc3c2)cc1
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
Cc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(F)c2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(nc2)C(F)(F)F)cc1 |r|
CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(Cl)c2)C(F)(F)F)cc1 |r|