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66 SMILES Strings for Multidrug resistance-associated protein 2 (MRP2)

Compound NameSMILES String
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM23414 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM86671 CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |w:20.19|
BDBM50001285 CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
BDBM50011032 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
BDBM50012278 CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
BDBM50013920 CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
BDBM50017712 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
BDBM50022815 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
BDBM50052019 CN(C)C(=O)CCSC(SCCC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
BDBM50103642 Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
BDBM50127140 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r|
BDBM50139772 CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49|
BDBM50139181 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
BDBM50241084 COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM50242284 O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50244521 OC(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1
BDBM50244522 CCOC(=O)c1c2CCCCc2sc1NC(=S)Nc1ccc(cc1)C(O)=O
BDBM50293015 COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50293011 COC(=O)c1ccc(cc1NC(=O)c1cnccn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50293018 COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(NC(=O)c5cnc6ccccc6c5)c4)cc3)Cc2cc1OC
BDBM50293019 COC(=O)c1ccc(cc1NC(=O)c1cccnc1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50293012 COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
BDBM50305083 COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O |r|
BDBM50339127 CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r|
BDBM50338982 COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
BDBM50358848 Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
BDBM50379653 CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O |r|
BDBM50368352 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r|
BDBM50390978 C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C |r|
BDBM50409816 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|
BDBM50420182 C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O |r|
BDBM50420229 CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C |r,c:1,25|
BDBM50420230 CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)OC2OC([C@H](O)C(O)C2O)C(O)=O)c(CCC(=O)O[C@@H]2OC([C@@H](O)C(O)C2O)C(O)=O)c1C |r,c:1,25|
BDBM50062551 [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
BDBM50030493 [H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r|
BDBM50047200 COCCNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
BDBM50047213 COC[C@H](C)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
BDBM50047215 COCC(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
BDBM50047316 CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
BDBM172715 CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(C(C)C)N(CC)C(=O)C(C)N(C)C1=O)C(C)C
BDBM172717 CC(C)[C@@H]1NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC(=O)C2CCCN(N2)C(=O)[C@H](Cc2cc(O)cc(F)c2)NC1=O)C(\C)=C\C=C\C(=O)N1CCCCO1 |r,t:19,21|
BDBM172718 CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
BDBM50088505 O[C@H]1[C@H](Oc2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
BDBM50047309 CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ncnn1C |r|
BDBM50202441 CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccc(C)c12
BDBM50202456 COc1ccc2n(CC3CCCCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
BDBM50202459 [#6]\[#6](-[#6])=[#6]/[#6]-n1cc(\[#6]=[#6]-2/[#8]-c3cc(-[#8])cc(-[#8])c3-[#6]-2=O)c2ccccc12
BDBM50202442 CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(C)ccc12
BDBM50202443 Oc1cc2O\C(=C/c3cn(CC4CCCCC4)c4ccc(Br)cc34)C(=O)c2c(O)c1
BDBM50202444 CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
BDBM50202445 Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
BDBM50202446 COc1ccc2n(Cc3cccc(Br)c3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
BDBM50202447 CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(OC)ccc12
BDBM50202448 CCCCn1c(C)c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
BDBM50202449 Oc1cc2O\C(=C/c3cn(Cc4cccc(Br)c4)c4ccccc34)C(=O)c2c(O)c1
BDBM50202450 Oc1cc2O\C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)c2c(O)c1
BDBM50202451 CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c(C)c2ccccc12
BDBM50202452 CCCCn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc2ccccc12
BDBM50202453 Oc1cc2O\C(=C/c3cn(CC4CCCCC4)c4ccccc34)C(=O)c2c(O)c1
BDBM50202454 CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccc(OC)c12
BDBM50202455 CCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
BDBM50202457 COc1cccc(Cn2cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c3ccccc23)c1
BDBM50202458 Cn1c(\C=C2/Oc3cc(O)cc(O)c3C2=O)cc2ccccc12