SMILES for Fucose-binding lectin PA-IIL

103 SMILES Strings for Fucose-binding lectin PA-IIL

Compound Name

SMILES String

COC1O[C@H](CO)[C@@H](O)C(O)[C@@H]1O |r|

CC1O[C@@H](OCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](O)C(O)[C@@H]1O |r,wU:36.40,3.3,wD:40.45,(41.47,-13.76,;42.95,-13.36,;44.44,-13.76,;45.93,-13.36,;45.93,-11.82,;47.26,-11.05,;48.6,-11.82,;48.6,-13.36,;49.93,-14.13,;49.93,-15.67,;51.26,-13.36,;51.26,-11.82,;52.6,-11.05,;52.6,-9.51,;51.26,-8.74,;49.93,-9.51,;49.93,-11.05,;48.87,-8.97,;48.87,-7.69,;47.81,-9.74,;51.26,-7.2,;52.6,-6.43,;53.93,-7.2,;55.27,-6.43,;55.27,-4.89,;56.6,-4.12,;53.93,-4.12,;52.6,-4.89,;51.26,-4.12,;49.93,-4.89,;48.6,-4.12,;47.26,-4.89,;45.93,-4.12,;47.26,-6.43,;48.6,-7.2,;49.93,-6.43,;44.84,-14.45,;46.33,-14.06,;43.35,-14.06,;42.74,-15.14,;41.87,-14.45,;41.87,-15.99,)|

BDBM103983

COC1O[C@H](Cn2cc(CO)nn2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103984

COC1O[C@H](Cn2cc(CCc3ccccc3)nn2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103985

COC1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103986

COC1O[C@H](Cn2cc(nn2)-c2cccc(C)c2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103987

COC1O[C@H](Cn2cc(nn2)-c2ccc(C)cc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103989

COC1O[C@H](Cn2cc(nn2)-c2ccc(F)cc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103990

COC1O[C@H](CNC(C)=O)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103991

COC1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103992

COC1O[C@H](CNC(=O)c2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103993

COC1O[C@H](CNC(=O)c2cc(cc(c2)[N+](O)=O)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103994

COC1O[C@H](CNC(=O)Cc2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103995

COC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103996

COC1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103997

COC1O[C@H](CNCc2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103998

COC1O[C@H](CNCc2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O |r|

BDBM103999

COC1O[C@H](CNCc2ccc(cc2)C#N)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104000

COC1O[C@H](CNCc2ccc(Cl)cc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104001

COC1O[C@H](CN)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104002

COC1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104003

COC1O[C@H](CNS(=O)(=O)c2ccc(C)cc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104004

COC1O[C@H](CNS(=O)(=O)c2ccc(Br)cc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104005

COC1O[C@H](CNS(=O)(=O)c2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104006

COC1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)C(O)[C@@H]1O |r|

BDBM104008

COC1O[C@H](CNS(=O)(=O)\C=C\c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r|

BDBM50505588

C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)oc2C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505589

C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(Cl)c(Cl)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50242419

C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505590

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccn(C)n2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505591

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505592

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(\C=C/c3ccccc3)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505593

C[C@@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505594

C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505595

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2cccc(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505596

COc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50505597

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(cc2)C2CC2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505598

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505599

C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3s2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505600

C[C@@H]1O[C@H](CNC(=O)c2csc(n2)-c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505601

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccco2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505602

C[C@@H]1O[C@H](CNS(=O)(=O)c2cnoc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505603

C[C@@H]1O[C@H](CNS(=O)(=O)c2cn(C)nc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505604

C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)sc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505605

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(C)s2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505606

C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)cs2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505607

CCc1ccc(s1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50505608

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505609

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505610

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#CC(C)(C)O)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50166886

CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

BDBM50505611

CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505612

COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r|

BDBM50505613

C[C@@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505614

CO[C@H]1O[C@H](CNS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505615

CO[C@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505616

CO[C@H]1O[C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505617

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O

BDBM50505618

C[C@@H]1O[C@H](CNS(=O)(=O)c2cc(C)oc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505619

C[C@@H]1O[C@H](CNS(=O)(=O)c2cnn(C)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505620

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(s2)C#Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505621

C[C@@H]1O[C@H](CNC(=O)\C=C\c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505622

CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505623

C[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505624

C[C@@H]1O[C@H](CNS(=O)(=O)c2ccsc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50448403

OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50505625

C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505626

C[C@@H]1O[C@H](CNS(=O)(=O)c2sccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50505627

CO[C@H]1O[C@H](CNC(=O)\C=C\c2ccc(OC)c(OC)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50506709

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)CC)C(N)=O |r|

BDBM50509060

C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)NOCc3ccccc3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50509061

CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C |r|

BDBM50509062

OC[C@H]1O[C@H](OCc2cn(CCCCCC(=O)NOCc3ccccc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50509063

C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50580211

C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)nn3)N3NNC(CN(Cc4cn(nn4)C(COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)C(=O)c4ccc(cc4)-c4cn(CCCCCCCCCCN=[N+]=[N-])nn4)=C3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r,c:163|

BDBM50580212

OC[C@H]1O[C@@H](OCc2cn(CCCOc3cc4Cc5cc(OCCn6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)c(Cc6cc(OCCn7cc(CO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)c(Cc7cc(OCCn8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)c(Cc8cc(OCCn9cc(CO[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)nn9)c(Cc3cc4OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc8OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc7OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc6OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc5OCCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)nn2)[C@H](O)[C@@H](O)[C@H]1O

BDBM50591294

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(=O)N1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r|

BDBM50591295

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r|

BDBM50591296

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)NC[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |r|

BDBM50591431

C[C@@H]1O[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50591432

C[C@@H]1O[C@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50591433

C[C@@H]1O[C@H](NC(=O)c2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50591434

COc1ccc(cc1)C(=O)N[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50591435

C[C@@H]1O[C@H](NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50591436

C[C@@H]1O[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|