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QJO
QJO
Name:1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline
Formula:C9 H10 F2 N4 O4 S
SMILES:FC1(F)CC(C(=O)O)N(C1)S(=O)(=O)c1cnc(N)nc1
InChi:InChI=1S/C9H10F2N4O4S/c10-9(11)1-6(7(16)17)15(4-9)20(18,19)5-2-13-8(12)14-3-5/h2-3,6H,1,4H2,(H,16,17)(H2,12,13,14)/t6-/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline
QJU
QJU
Name:7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole
Formula:C19 H19 F N6 O
SMILES:Cc1nc(CC2CN(CCC2)c2ncnc3[NH]c4cc(F)ccc4c32)on1
InChi:InChI=1S/C19H19FN6O/c1-11-23-16(27-25-11)7-12-3-2-6-26(9-12)19-17-14-5-4-13(20)8-15(14)24-18(17)21-10-22-19/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,21,22,24)/t12-/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole
QK6
QK6
Name:[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Formula:C16 H15 F N4 O3
SMILES:O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C16H15FN4O3/c17-9-1-2-11-12(5-9)20-15-14(11)16(19-8-18-15)21-3-4-24-10(7-21)6-13(22)23/h1-2,5,8,10H,3-4,6-7H2,(H,22,23)(H,18,19,20)/t10-/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
QKC
QKC
Name:7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole
Formula:C16 H17 F N4 O2 S
SMILES:CS(=O)(=O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C16H17FN4O2S/c1-24(22,23)11-3-2-6-21(8-11)16-14-12-5-4-10(17)7-13(12)20-15(14)18-9-19-16/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,18,19,20)/t11-/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole
QKL
QKL
Name:(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H21 N3 O4
SMILES:O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
InChi:InChI=1S/C21H21N3O4/c25-19(12-5-7-14(8-6-12)22-21(28)23-15-9-10-15)24-18-16-4-2-1-3-13(16)11-17(18)20(26)27/h1-8,15,17-18H,9-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t17-,18-/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
QKX
QKX
Name:(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H21 N3 O4
SMILES:O=C(NC1CC1)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
InChi:InChI=1S/C21H21N3O4/c25-19(12-5-7-14(8-6-12)22-21(28)23-15-9-10-15)24-18-16-4-2-1-3-13(16)11-17(18)20(26)27/h1-8,15,17-18H,9-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t17-,18+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
QL6
QL6
Name:3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid
Formula:C21 H20 N4 O4
SMILES:O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2[NH]c1C(=O)O
InChi:InChI=1S/C21H20N4O4/c26-19(12-5-7-13(8-6-12)23-21(29)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)25-18(16)20(27)28/h1-8,14,25H,9-11H2,(H,22,26)(H,27,28)(H2,23,24,29)
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid
QM6
QM6
Name:3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid
Formula:C21 H19 N3 O5
SMILES:O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2oc1C(=O)O
InChi:InChI=1S/C21H19N3O5/c25-19(12-5-7-13(8-6-12)23-21(28)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)29-18(16)20(26)27/h1-8,14H,9-11H2,(H,22,25)(H,26,27)(H2,23,24,28)
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid
QMF
QMF
Name:3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid
Formula:C21 H19 N3 O4 S
SMILES:O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2sc1C(=O)O
InChi:InChI=1S/C21H19N3O4S/c25-19(12-5-7-13(8-6-12)23-21(28)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)29-18(16)20(26)27/h1-8,14H,9-11H2,(H,22,25)(H,26,27)(H2,23,24,28)
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid
QMO
QMO
Name:(1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H23 N3 O5
SMILES:CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H23N3O5/c1-11(2)22-21(29)23-13-8-6-12(7-9-13)19(26)24-18-14-4-3-5-17(25)15(14)10-16(18)20(27)28/h3-9,11,16,18,25H,10H2,1-2H3,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
QN0
QN0
Name:(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H23 N3 O5
SMILES:CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H23N3O5/c1-11(2)22-21(29)23-13-8-6-12(7-9-13)19(26)24-18-14-4-3-5-17(25)15(14)10-16(18)20(27)28/h3-9,11,16,18,25H,10H2,1-2H3,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
QNF
QNF
Name:(1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H16 N2 O6
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1
InChi:InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
QNV
QNV
Name:(1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H16 N2 O6
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1
InChi:InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
QO3
QO3
Name:(1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H21 N3 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc(NCC2CC2)cc1
InChi:InChI=1S/C20H21N3O4/c24-16-3-1-2-13-14(16)8-15(20(26)27)18(13)23-19(25)12-6-7-17(22-10-12)21-9-11-4-5-11/h1-3,6-7,10-11,15,18,24H,4-5,8-9H2,(H,21,22)(H,23,25)(H,26,27)/t15-,18+/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QOF
QOF
Name:(1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H21 N3 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc(NCC2CC2)cc1
InChi:InChI=1S/C20H21N3O4/c24-16-3-1-2-13-14(16)8-15(20(26)27)18(13)23-19(25)12-6-7-17(22-10-12)21-9-11-4-5-11/h1-3,6-7,10-11,15,18,24H,4-5,8-9H2,(H,21,22)(H,23,25)(H,26,27)/t15-,18+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QOR
QOR
Name:(1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H22 N4 O5
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1
InChi:InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid
QP9
QP9
Name:(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H22 N4 O5
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1
InChi:InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid
QPL
QPL
Name:(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H17 N3 O5
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1
InChi:InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17+/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
QPX
QPX
Name:(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H17 N3 O5
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1
InChi:InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
QQ9
QQ9
Name:(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
Formula:C14 H15 N3 O3
SMILES:O=C(c1ccnc2[NH]ccc21)N1CCCC(C1)C(=O)O
InChi:InChI=1S/C14H15N3O3/c18-13(17-7-1-2-9(8-17)14(19)20)11-4-6-16-12-10(11)3-5-15-12/h3-6,9H,1-2,7-8H2,(H,15,16)(H,19,20)/t9-/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
QQI
QQI
Name:(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H20 N4 O5
SMILES:O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1
InChi:InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m1/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QQR
QQR
Name:(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H20 N4 O5
SMILES:O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1
InChi:InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QR0
QR0
Name:(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C20 H18 N4 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(Nn2ccnc2)cc1
InChi:InChI=1S/C20H18N4O4/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)22-19(26)12-4-6-13(7-5-12)23-24-9-8-21-11-24/h1-9,11,16,18,23,25H,10H2,(H,22,26)(H,27,28)/t16-,18+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
QR6
QR6
Name:(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C21 H20 Cl N3 O5
SMILES:O=C(NC1CC1)Nc1ccc(c(Cl)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H20ClN3O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QRC
QRC
Name:(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C19 H19 N3 O5
SMILES:CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C19H19N3O5/c1-20-19(27)21-11-7-5-10(6-8-11)17(24)22-16-12-3-2-4-15(23)13(12)9-14(16)18(25)26/h2-8,14,16,23H,9H2,1H3,(H,22,24)(H,25,26)(H2,20,21,27)/t14-,16+/m0/s1
Definition date:2022-06-14
Last modified:2022-07-01
Release date:2022-07-06
Identifier:(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid

222415

PDB entries from 2024-07-10

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