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    N H N H 2 N HN O N H O
    ZZZ
    Name:6-FORMYLTETRAHYDROPTERIN
    Formula:C7 H9 N5 O2
    SMILES:O=CC1NC=2C(=O)NC(=NC=2NC1)N
    InChi:InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3,10H,1H2,(H4,8,9,11,12,14)/t3-/m1/s1
    Synonyms:(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE
    Definition date:2006-02-21
    Last modified:2020-06-17
    Identifier:(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carbaldehyde
    S O _ O + N O O O N N NH 2
    ZZY
    Name:1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE
    Formula:C14 H10 N4 O5 S
    SMILES:[O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N
    InChi:InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19)
    Definition date:2009-03-19
    Last modified:2011-06-04
    Identifier:1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
    HN N N N CH 3 N Cl F OH O O O CH 3 CH 3
    ZZX
    Name:(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
    Formula:C21 H21 Cl F N5 O4
    SMILES:Fc1ccc(cc1Cl)CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O)C(=O)NC
    InChi:InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1
    Definition date:2010-10-04
    Last modified:2011-06-04
    Identifier:(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide
    N NH N O F HO
    ZZW
    Name:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
    Formula:C19 H14 F N3 O2
    SMILES:Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
    InChi:InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
    Definition date:2010-10-04
    Last modified:2011-06-04
    Identifier:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
    S N N N CH 3 F HO O O O CH 3
    ZZV
    Name:N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
    Formula:C20 H18 F N3 O4 S
    SMILES:O=S(=O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F)cc4)C)C
    InChi:InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3
    Definition date:2010-10-04
    Last modified:2011-06-04
    Identifier:N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
    O HO H 2 N OH N H NH NH 2
    ZZU
    Name:(2S,3S)-3-HYDROXYARGININE
    Formula:C6 H14 N4 O3
    SMILES:O=C(O)C(N)C(O)CCNC(=[N@H])N
    InChi:InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
    Definition date:2009-03-02
    Last modified:2011-06-04
    Identifier:(2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name)
    NH 2 H 3 C O CH 3
    ZZT
    Name:2-METHOXY-5-METHYLANILINE
    Formula:C8 H11 N O
    SMILES:O(c1ccc(cc1N)C)C
    InChi:InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
    Definition date:2009-11-20
    Last modified:2011-06-04
    Identifier:2-methoxy-5-methylaniline
    NH 2 N N N H 2 N
    ZZS
    Name:1,3,5-TRIAZINE-2,4-DIAMINE
    Formula:C3 H5 N5
    SMILES:n1c(nc(nc1)N)N
    InChi:InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)
    Definition date:2009-11-12
    Last modified:2011-06-04
    Identifier:1,3,5-triazine-2,4-diamine
    N N H N H 2 N N H + N NH 2
    ZZR
    Name:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
    Formula:C3 H6 N7
    SMILES:n1c(N)n[n+]2c(nnc12)N
    InChi:InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1
    Definition date:2009-11-10
    Last modified:2011-06-04
    Identifier:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
    S O N H N N N O N H 3 C O
    ZZQ
    Name:2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE
    Formula:C25 H23 N5 O3 S
    SMILES:O=C3C5=C(N=C(SCC(=O)Nc2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5
    InChi:InChI=1S/C25H23N5O3S/c1-33-22-9-5-4-8-21(22)30-24(32)17-6-2-3-7-18(17)29-25(30)34-15-23(31)28-16-10-11-19-20(14-16)27-13-12-26-19/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,28,31)
    Definition date:2009-11-09
    Last modified:2011-06-04
    Identifier:2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-quinoxalin-6-ylacetamide
    F O O S HN N CH 3 N N H 3 C O O
    ZZP
    Name:N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE
    Formula:C22 H19 F N4 O4 S
    SMILES:Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3\N=C2/C=C(OC)C=C(OC)C2
    InChi:InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+
    Definition date:2009-11-09
    Last modified:2011-06-04
    Identifier:N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
    N N N N H 2 N F HO N O CH 3 CH 3 N
    ZZO
    Name:2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
    Formula:C28 H22 F N7 O2
    SMILES:Fc6c(O)ccc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6
    InChi:InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
    Definition date:2009-11-09
    Last modified:2011-06-04
    Identifier:2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
    N N N N H 2 N F HO N O CH 3 CH 3 N
    ZZN
    Name:2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
    Formula:C28 H22 F N7 O2
    SMILES:Fc6cc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)cc(O)c6
    InChi:InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
    Definition date:2009-11-09
    Last modified:2011-06-04
    Identifier:2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
    H 2 N N H 3 C N N N N CH 3
    ZZM
    Name:1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
    Formula:C15 H14 N6
    SMILES:n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N
    InChi:InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19)
    Definition date:2009-11-09
    Last modified:2011-06-04
    Identifier:1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    N N F F Cl N O OH N H
    ZZL
    Name:4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID
    Formula:C25 H15 Cl F2 N4 O2
    SMILES:Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc23)Nc4ccc(C(=O)O)cc4
    InChi:InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
    Definition date:2009-09-22
    Last modified:2011-06-04
    Identifier:4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid
    NH 2 N O O NH 2 O
    ZZK
    Name:4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE
    Formula:C19 H15 N3 O3
    SMILES:O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N
    InChi:InChI=1S/C19H15N3O3/c20-18-15(11-4-6-12(7-5-11)19(21)23)8-13(9-22-18)14-2-1-3-16-17(14)25-10-24-16/h1-9H,10H2,(H2,20,22)(H2,21,23)
    Definition date:2009-09-15
    Last modified:2011-06-04
    Identifier:4-[2-amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
    NH O CH 3 CH 3 H 2 N
    ZZJ
    Name:N^2^-methyl-L-alaninamide
    Formula:C4 H10 N2 O
    SMILES:O=C(N)C(NC)C
    InChi:InChI=1S/C4H10N2O/c1-3(6-2)4(5)7/h3,6H,1-2H3,(H2,5,7)/t3-/m0/s1
    Definition date:2009-09-02
    Last modified:2011-06-04
    Identifier:N~2~-methyl-L-alaninamide
    CH 3 N CH 3 O OH HO OH
    ZZI
    Name:(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE
    Formula:C10 H21 N O4
    SMILES:O=C(N(CCC)CCC)C(O)C(O)CO
    InChi:InChI=1S/C10H21NO4/c1-3-5-11(6-4-2)10(15)9(14)8(13)7-12/h8-9,12-14H,3-7H2,1-2H3/t8-,9-/m1/s1
    Definition date:2009-08-03
    Last modified:2011-06-04
    Identifier:(2R,3R)-2,3,4-trihydroxy-N,N-dipropylbutanamide
    O O OH
    ZZH
    Name:(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
    Formula:C22 H20 O3
    SMILES:O=C(O)C(Oc1ccc(cc1)Cc2ccccc2)Cc3ccccc3
    InChi:InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
    Definition date:2009-06-04
    Last modified:2011-06-04
    Identifier:(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid
    N N O H 3 C O CH 3 O O N H CH 3 CH 3 H 3 C N
    ZZG
    Name:4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE
    Formula:C26 H26 N4 O4
    SMILES:n1ccccc1c4nc(c(cc4Oc3ccnc(Nc2cc(OC)c(OC)c(OC)c2)c3)C)C
    InChi:InChI=1S/C26H26N4O4/c1-16-12-21(25(29-17(16)2)20-8-6-7-10-27-20)34-19-9-11-28-24(15-19)30-18-13-22(31-3)26(33-5)23(14-18)32-4/h6-15H,1-5H3,(H,28,30)
    Definition date:2009-07-28
    Last modified:2011-06-04
    Identifier:4-[(5,6-dimethyl-2,2'-bipyridin-3-yl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
    NH 2 O O S N H H 3 C N O H 3 C N
    ZZF
    Name:4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE
    Formula:C18 H18 N4 O3 S
    SMILES:O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C)C)c3
    InChi:InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
    Definition date:2009-07-28
    Last modified:2011-06-04
    Identifier:4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
    CH 3 N N HO CH 3 N N O
    ZZE
    Name:5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
    Formula:C17 H18 N4 O2
    SMILES:N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2
    InChi:InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
    Definition date:2009-07-27
    Last modified:2011-06-04
    Identifier:5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
    H 2 N S OH O
    ZZD
    Name:S-TRITYL-L-CYSTEINE
    Formula:C22 H21 N O2 S
    SMILES:O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3
    InChi:InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
    Definition date:2009-07-23
    Last modified:2019-05-07
    Identifier:S-trityl-L-cysteine
    _ O OH HO O O _ O OH O O OH O O O N N NH 2 N N P P CH 3
    ZZC
    Name:[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE
    Formula:C15 H21 N5 O13 P2
    SMILES:CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
    InChi:InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1
    Definition date:2009-07-23
    Last modified:2011-06-04
    Identifier:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
    N O O O O F O _ B H 3 C N H OH P HO O N N H 2 N N
    ZZB
    Name:[(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE
    Formula:C19 H22 B F N6 O8 P
    SMILES:CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F
    InChi:InChI=1S/C19H22BFN6O8P/c1-2-23-12-4-10-9(3-11(12)21)5-31-20(10)34-15-13(6-32-36(28,29)30)33-19(16(15)35-20)27-8-26-14-17(22)24-7-25-18(14)27/h3-4,7-8,13,15-16,19,23H,2,5-6H2,1H3,(H2,22,24,25)(H2,28,29,30)/q-1/t13-,15-,16-,19-,20+/m1/s1
    Definition date:2009-04-06
    Last modified:2011-06-04
    Identifier:[(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
    169117
    PDB entries from 2020-09-23