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MQA
MQA
Name:[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Formula:C16 H19 N3 O6
SMILES:O=C1C2=C(C(=O)C(OC)=C1C)C(C4(OC)N2CC3NC34)COC(=O)N
InChi:InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1
Synonyms:Mitomycin A
Definition date:2009-04-06
Last modified:2021-03-01
Identifier:[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
36L
36L
Name:(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
Formula:C35 H47 N O8
SMILES:O=C1OC2C(C=CC4OC4(C(O)CC(OC(=O)C=CCC(C1)C2)C(C)C(OC)C(=CC=CC(=Cc3nc(oc3)C)C)C)C)C
InChi:InChI=1S/C35H47NO8/c1-21(16-27-20-41-25(5)36-27)10-8-11-23(3)34(40-7)24(4)29-19-30(37)35(6)31(44-35)15-14-22(2)28-17-26(18-33(39)42-28)12-9-13-32(38)43-29/h8-11,13-16,20,22,24,26,28-31,34,37H,12,17-19H2,1-7H3/b10-8+,13-9+,15-14+,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35-/m1/s1
Synonyms:Rhizoxin
Definition date:2014-06-25
Last modified:2021-03-01
Release date:2014-08-27
Identifier:(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione
MRI
MRI
Name:2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
Formula:C15 H10 O7
SMILES:Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
InChi:InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
Synonyms:Morin
Definition date:2015-06-17
Last modified:2021-03-01
Release date:2015-10-07
Identifier:2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
MS3
MS3
Name:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]
Formula:C42 H52 N6 O8
SMILES:O=C(NCc1ncccc1)C(NC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC(C(=O)NCc4ncccc4)C(C)C)C(C)C
InChi:InChI=1S/C42H52N6O8/c1-27(2)33(39(51)45-23-31-19-11-13-21-43-31)47-41(53)37(55-25-29-15-7-5-8-16-29)35(49)36(50)38(56-26-30-17-9-6-10-18-30)42(54)48-34(28(3)4)40(52)46-24-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
Synonyms:INHIBITOR MSA367
Definition date:2000-03-13
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis{(1S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]propyl}hexanediamide (non-preferred name)
MSC
MSC
Name:2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE
Formula:C36 H36 Cl F N2 O7
SMILES:Fc1cccc(Cl)c1CNC(=O)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O
InChi:InChI=1S/C36H36ClFN2O7/c37-27-16-9-17-28(38)26(27)19-39-35(44)33(46-20-22-10-3-1-4-11-22)31(42)32(43)34(47-21-23-12-5-2-6-13-23)36(45)40-30-25-15-8-7-14-24(25)18-29(30)41/h1-17,29-34,41-43H,18-21H2,(H,39,44)(H,40,45)/t29-,30+,31-,32-,33-,34-/m1/s1
Synonyms:INHIBITOR MSL370
Definition date:1999-10-05
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-N-(2-chloro-6-fluorobenzyl)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
MSL
MSL
Name:(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID
Formula:C5 H12 N2 O3 S
SMILES:O=S(=N)(C)CCC(C(=O)O)N
InChi:InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1
Synonyms:METHIONINE SULFOXIMINE
Definition date:2005-09-27
Last modified:2021-03-01
Identifier:(2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid
MSZ
MSZ
Name:(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
Formula:C15 H10 Cl F3 O3
SMILES:Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O
InChi:InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m0/s1
Synonyms:Metaglidasen (S enantiomer)
Definition date:2014-04-09
Last modified:2021-03-01
Release date:2015-02-11
Identifier:(2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
MT1
MT1
Name:N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
Formula:C20 H23 N8 O5
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)[nH+]c(nc3N)N)CCC(=O)O
InChi:InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p+1/t13-/m0/s1
Synonyms:METHOTREXATE PROTONATED AT N1
Definition date:2006-10-25
Last modified:2021-03-01
Identifier:N-[(4-{[(2,4-diaminopteridin-1-ium-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid
MT9
MT9
Name:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
Formula:C25 H43 N O7
SMILES:O=C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(N(C)C)C1O)C)C2C)C)C
InChi:InChI=1S/C25H43NO7/c1-9-20-25(6,30)11-10-19(27)14(2)12-15(3)22(17(5)23(29)32-20)33-24-21(28)18(26(7)8)13-16(4)31-24/h10-11,14-18,20-22,24,28,30H,9,12-13H2,1-8H3/b11-10+/t14-,15+,16-,17-,18+,20-,21-,22+,24+,25+/m1/s1
Synonyms:methymycin
Definition date:2009-04-22
Last modified:2021-03-01
Identifier:(3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
MTH
MTH
Name:2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C12 H16 N4 O3 S
SMILES:S(C)CC3OC(n2ccc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1
Synonyms:5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN
Definition date:2002-12-12
Last modified:2021-03-01
Identifier:7-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
MTP
MTP
Name:2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C11 H14 N4 O4 S
SMILES:n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO
InChi:InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
Synonyms:9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE
Definition date:2003-06-23
Last modified:2021-03-01
Identifier:6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine
MUC
MUC
Name:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:C6 H6 O4
SMILES:O=C(O)CC1OC(=O)C=C1
InChi:InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
Synonyms:muconolactone
Definition date:2008-06-15
Last modified:2021-03-01
Identifier:[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
MUS
MUS
Name:4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID
Formula:C21 H25 N O11
SMILES:O=C3Oc2c(ccc(OC1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C(=O)O)c2)C(=C3)C
InChi:InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18+,19+,21+/m0/s1
Synonyms:METHYLUMBELLIFERYL SIALIC ACID
Definition date:2004-01-19
Last modified:2021-03-01
Identifier:4-methyl-2-oxo-2H-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
NOG
NOG
Name:13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE
Formula:C21 H28 O2
SMILES:O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4
InChi:InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Synonyms:NORGESTREL
Definition date:2002-04-29
Last modified:2021-03-01
Identifier:(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
NPX
NPX
Name:(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Formula:C14 H14 O3
SMILES:O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
InChi:InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
Synonyms:(R)-Naproxen
Definition date:2007-10-04
Last modified:2021-03-01
Identifier:(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
NRN
NRN
Name:(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Formula:C10 H13 N5 O3
SMILES:Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
InChi:InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
Synonyms:noraristeromycin
Definition date:2015-07-31
Last modified:2021-03-01
Release date:2016-07-27
Identifier:(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
NSK
NSK
Name:N-SUCCINYL LYSINE
Formula:C10 H18 N2 O5
SMILES:O=C(NC(C(=O)O)CCCCN)CCC(=O)O
InChi:InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
Definition date:2007-04-05
Last modified:2021-03-01
Identifier:N~2~-(3-carboxypropanoyl)-L-lysine
NSL
NSL
Name:4-Hydroxyazobenzene
Formula:C12 H10 N2 O
SMILES:c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:4-[(E)-phenyldiazenyl]phenol
Definition date:2019-04-15
Last modified:2021-03-01
Release date:2019-07-24
Identifier:4-[(E)-phenyldiazenyl]phenol
NUT
NUT
Name:4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
Formula:C30 H30 Cl2 N4 O4
SMILES:O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5
InChi:InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
Synonyms:Nutlin 3a
Definition date:2012-10-12
Last modified:2021-03-01
Release date:2013-04-24
Identifier:4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
NUZ
NUZ
Name:[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
Formula:C21 H19 Cl N4 O4
SMILES:[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
InChi:InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
Synonyms:nucleozin
Definition date:2014-12-16
Last modified:2021-03-01
Release date:2015-12-16
Identifier:[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
NVE
NVE
Name:diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
Formula:C27 H33 N4 O5 P
SMILES:O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC
InChi:InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3
Synonyms:nevirapine phosphonate analogue
Definition date:2012-12-03
Last modified:2021-03-01
Release date:2013-02-15
Identifier:diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
NXK
NXK
Name:2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
Formula:C16 H15 B F N O6
SMILES:OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
InChi:InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21)
Synonyms:2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
Definition date:2020-01-06
Last modified:2021-03-01
Release date:2021-01-27
Identifier:2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
37U
37U
Name:D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
Formula:C21 H24 F N3 O2
SMILES:O=C(NCc1cccc(F)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3
InChi:InChI=1S/C21H24FN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
Synonyms:(2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-((3-fluorophenyl)methyl)pyrrolidine-2-carboxamide
Definition date:2007-11-30
Last modified:2021-03-01
Identifier:D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
381
381
Name:(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
Formula:C10 H22 N O2 P
SMILES:O=P(O)(CC1CCCCC1)CCCN
InChi:InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
Synonyms:CGP 46381
Definition date:2013-09-19
Last modified:2021-03-01
Release date:2013-12-11
Identifier:(S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid
383
383
Name:[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
Formula:C17 H23 N3 O9
SMILES:O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O
InChi:InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
Synonyms:SB-219383
Definition date:2001-07-05
Last modified:2021-03-01
Identifier:(2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid

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PDB entries from 2025-11-26

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