BindingDB logo
myBDB logout

62 SMILES Strings for AICAR transformylase

Compound NameSMILES String
BDBM22579 NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N
BDBM22580 Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1 |w:18.19|
BDBM22582 Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1 |w:17.18|
BDBM22583 Cc1[nH]n(-c2cc(Cl)c(cc2Cl)S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(O)(=O)=O |w:19.20|
BDBM24685 CS[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r|
BDBM24686 CS[C@@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r|
BDBM24692 Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
BDBM24693 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
BDBM92368 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92369 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92370 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92371 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92372 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)C#N)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92373 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)-[#5](-[#8])-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92374 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)N(=O)=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92375 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM92376 [#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)N(=O)=O)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O |r|
BDBM119131 Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 |r|
BDBM50003896 Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
BDBM50003058 Nc1nc(O)c2c3cn(cc3cnc2n1)-c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
BDBM50003059 Nc1nc2NCC3CN(CC3c2c(=O)[nH]1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
BDBM50003057 Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21
BDBM50005518 Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 |r|
BDBM50005520 Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
BDBM50012244 Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
BDBM50014706 CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
BDBM50014707 CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
BDBM50014843 Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
BDBM50014844 CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
BDBM50022739 CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
BDBM50022741 CC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
BDBM50022385 Nc1nc2ccc(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
BDBM50022386 Nc1nc2CCC(CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
BDBM50022387 Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
BDBM50022388 Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1
BDBM50041176 CN(Cc1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
BDBM50041179 Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1
BDBM50080319 Nc1nc2CCC(CN(C=O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:29|
BDBM50080320 NC1=NC(O)C2N[C@@H](CN(C=O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=N1 |c:34,t:1|
BDBM50089572 Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
BDBM50089594 Nc1nc2ccc(CN(Cc3ccc(c(F)c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
BDBM50158378 NS(=O)(=O)c1cccc2cc(ccc12)\N=N\c1cccc2c(cccc12)S(O)(=O)=O
BDBM50158379 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
BDBM50158380 Cc1cc(N)ccc1\N=N\c1cc(c2cccc(c2c1)S(O)(=O)=O)S(O)(=O)=O
BDBM50158381 OS(=O)(=O)c1cc([N-][N+](=O)c2cc(c3ccccc3c2)S(O)(=O)=O)cc2ccccc12
BDBM50158382 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@]12C)=NNS(=O)(=O)c1ccc(C)cc1 |r,w:27.31,t:15|
BDBM50158383 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1 |r,t:8|
BDBM50158384 OC(=O)C1=C\C(=C\C(c2ccccc2)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2C1=O |t:3|
BDBM50158385 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)c2ccc(N)cc2)c(c1)S(O)(=O)=O
BDBM50158386 Oc1ccc(N=Nc2ccc(cc2)N=Nc2ccc(cc2)S(O)(=O)=O)c2c(cccc12)S(O)(=O)=O |w:13.13,5.4|
BDBM50158387 OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
BDBM50158388 Nc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc(cc1)C(O)=O
BDBM50158390 Cc1ccc(cc1)S(=O)(=O)Nc1cc([N+]([O-])=O)c2scnc2c1
BDBM50167702 Ic1cccc(c1)C(=O)NCC(=O)NCC(=O)NCCc1ccccc1
BDBM50167703 COc1ccc(CNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)CNC(=O)c2cccc(I)c2)cc1
BDBM50186739 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NC(CCc2nnn[nH]2)C(O)=O)c(=O)[nH]1
BDBM50186740 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCc2nnn[nH]2)c(=O)[nH]1
BDBM50186741 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NCC(O)=O)c(=O)[nH]1
BDBM50292288 COc1ccc(cc1OC)C(=O)O[C@@H]1CCC2(C)C3CCC4[C@]5(O)C[C@H](O)[C@@]6(O)C(CN7C[C@@H](C)CCC7[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O |r,TLB:12:13:18:44.45,13:46:21.19.20:16,22:21:16:46.45,43:44:18:15.14.13,47:46:21.19.20:16,17:16:21.19.20:46.45,THB:21:44:18:15.14.13|
BDBM50374377 Nc1nc(N)c(CCCCCC(=O)c2nc3ccccc3o2)c(=O)[nH]1
BDBM50369444 NC(=O)c1ncn(C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1C=CC(=O)N(CC1=Nc2c(CC1)nc(N)[nH]c2=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r,w:22.24,t:29|
BDBM18050 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|