Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
FR9
FR9
Name:1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE
Formula:C24 H26 N6 O3
SMILES:O=C(N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)NCc4ccccc4
InChi:InChI=1S/C24H26N6O3/c25-23(32)21-14-30(16-27-21)20(15-31)9-11-29-10-8-18-6-7-19(12-22(18)29)28-24(33)26-13-17-4-2-1-3-5-17/h1-8,10,12,14,16,20,31H,9,11,13,15H2,(H2,25,32)(H2,26,28,33)/t20-/m1/s1
Synonyms:FR236913
Definition date:2003-10-05
Last modified:2020-06-17
Identifier:1-[(1R)-3-{6-[(benzylcarbamoyl)amino]-1H-indol-1-yl}-1-(hydroxymethyl)propyl]-1H-imidazole-4-carboxamide
FRZ
FRZ
Name:5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE
Formula:C18 H13 N7
SMILES:n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5)N
InChi:InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)
Synonyms:FR180204
Definition date:2004-07-02
Last modified:2020-06-17
Identifier:5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine
48W
48W
Name:6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide
Formula:C23 H27 Cl N4 O5 S
SMILES:O=C4N(C)CCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c2cc1ccc(Cl)cc1cc2)CC3)C)CC4
InChi:InChI=1S/C23H27ClN4O5S/c1-15(22(30)27-9-8-21(29)26(2)11-12-27)28-10-7-20(23(28)31)25-34(32,33)19-6-4-16-13-18(24)5-3-17(16)14-19/h3-6,13-15,20,25H,7-12H2,1-2H3/t15-,20-/m0/s1
Synonyms:GTC000398
Definition date:2015-02-13
Last modified:2020-06-17
Release date:2015-09-30
Identifier:6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
493
493
Name:{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID
Formula:C32 H36 N3 O9 P
SMILES:O=C(O)COc1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1
Synonyms:RU85493
Definition date:2003-06-20
Last modified:2020-06-17
Identifier:{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-phosphonophenoxy}acetic acid
49M
49M
Name:(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol
Formula:C54 H105 N O8
SMILES:O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C54H105NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(58)55-46(43-44-48-52(60)54(62)53(61)49(45-56)63-48)51(59)47(57)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h43-44,46-49,51-54,56-57,59-62H,3-42,45H2,1-2H3,(H,55,58)/b44-43+/t46-,47+,48+,49+,51-,52-,53-,54+/m0/s1
Synonyms:GCK127
Definition date:2015-02-17
Last modified:2020-06-17
Release date:2015-05-27
Identifier:(1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol
4AA
4AA
Name:4-CHLORO-3-HYDROXYANTHRANILIC ACID
Formula:C7 H6 Cl N O3
SMILES:Clc1ccc(c(N)c1O)C(=O)O
InChi:InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)
Synonyms:2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID
Definition date:2005-01-07
Last modified:2020-06-17
Identifier:2-amino-4-chloro-3-hydroxybenzoic acid
4AN
4AN
Name:6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE
Formula:C12 H8 N2 O2
SMILES:O=C2c1c3c(c(cc1)N)cccc3C(=O)N2
InChi:InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
Synonyms:4-AMINO-1,8-NAPHTHALIMIDE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:6-amino-1H-benzo[de]isoquinoline-1,3(2H)-dione
4B2
4B2
Name:(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Formula:C15 H14 F2 N4 S
SMILES:Fc2c(c1cncnc1)cc(c(F)c2)C3(N=C(SCC3)N)C
InChi:InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
Synonyms:LY2811376
Definition date:2015-02-23
Last modified:2020-06-17
Release date:2015-04-01
Identifier:(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
4BG
4BG
Name:N-[4-(benzyloxy)phenyl]glycinamide
Formula:C15 H16 N2 O2
SMILES:O=C(Nc2ccc(OCc1ccccc1)cc2)CN
InChi:InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
Synonyms:2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide
Definition date:2008-03-14
Last modified:2020-06-17
Identifier:N-[4-(benzyloxy)phenyl]glycinamide
4BT
4BT
Name:2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
Formula:C12 H18 N4 S2
SMILES:S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N
InChi:InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)
Synonyms:S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA
Definition date:1999-09-23
Last modified:2020-06-17
Identifier:benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate)
4D7
4D7
Name:3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine
Formula:C16 H15 N3 O4
SMILES:O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C
InChi:InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1
Synonyms:(R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid
Definition date:2009-10-22
Last modified:2020-06-17
Identifier:3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine
4D9
4D9
Name:3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine
Formula:C19 H15 N3 O3 S
SMILES:O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4
InChi:InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1
Synonyms:(R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid
Definition date:2009-10-22
Last modified:2020-06-17
Identifier:3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine
4DH
4DH
Name:3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine
Formula:C21 H19 N5 O3
SMILES:O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4
InChi:InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1
Synonyms:(R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid
Definition date:2009-10-23
Last modified:2020-06-17
Identifier:3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine
4DX
4DX
Name:(1S,2S)-2-methylcyclohexanol
Formula:C7 H14 O
SMILES:OC1CCCCC1C
InChi:InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
Synonyms:trans-2-methylcyclohexanol
Definition date:2009-10-27
Last modified:2020-06-17
Identifier:(1S,2S)-2-methylcyclohexanol
4E8
4E8
Name:3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
Formula:C18 H20 F N5
SMILES:Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
Synonyms:N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine
Definition date:2014-10-21
Last modified:2020-06-17
Release date:2014-12-24
Identifier:3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
4HC
4HC
Name:4-HYDROXY-2H-CHROMEN-2-ONE
Formula:C9 H6 O3
SMILES:O=C2Oc1ccccc1C(O)=C2
InChi:InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
Synonyms:4-HYDROXY-1-BENZOPYRAN-2-ONE
Definition date:2003-12-22
Last modified:2020-06-17
Identifier:4-hydroxy-2H-chromen-2-one
4J3
4J3
Name:amino(aminooxy)sulfane dioxide
Formula:H4 N2 O3 S
SMILES:NS(=O)(ON)=O
InChi:InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4)
Synonyms:Hydroxylamine-O-sulfonamide
Definition date:2015-03-20
Last modified:2020-06-17
Release date:2016-03-30
Identifier:amino(aminooxy)sulfane dioxide
4JF
4JF
Name:(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
Formula:C68 H90 N6 O24
SMILES:c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O
InChi:InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1
Synonyms:Lomaiviticin A
Definition date:2016-03-18
Last modified:2020-06-17
Release date:2016-06-01
Identifier:(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
4KL
4KL
Name:Xanthuric acid
Formula:C10 H7 N O4
SMILES:Oc1cc(C(O)=O)nc2c1cccc2O
InChi:InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
Synonyms:Xanthurenate
Definition date:2015-03-31
Last modified:2020-06-17
Release date:2015-11-18
Identifier:4,8-dihydroxyquinoline-2-carboxylic acid
4KO
4KO
Name:(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Formula:C15 H17 N7 O5 S3
SMILES:N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O
InChi:InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
Synonyms:Cefmetazole
Definition date:2013-05-13
Last modified:2020-06-17
Release date:2013-06-05
Identifier:(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
FSV
FSV
Name:5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Formula:C14 H11 F O3
SMILES:Fc2cc(C=Cc1cc(O)cc(O)c1)ccc2O
InChi:InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+
Synonyms:fluoro-resveratrol
Definition date:2014-02-28
Last modified:2020-06-17
Release date:2014-05-07
Identifier:5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
FT4
FT4
Name:[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid
Formula:C21 H21 F N2 O4 S
SMILES:CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4ccc(F)cc4)(=O)=O
InChi:InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
Synonyms:CAY10471
Definition date:2018-04-16
Last modified:2020-06-17
Release date:2018-10-03
Identifier:[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid
FTS
FTS
Name:(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Formula:C13 H16 F4 N2 O2 S
SMILES:c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F
InChi:InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1
Synonyms:3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE
Definition date:2006-03-03
Last modified:2020-06-17
Identifier:(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
FVS
FVS
Name:(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
Formula:C32 H47 F5 O3 S
SMILES:FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4
InChi:InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41-/m1/s1
Synonyms:Fulvestrant
Definition date:2013-02-25
Last modified:2020-06-17
Release date:2013-06-05
Identifier:(7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol
FWD
FWD
Name:2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Formula:C7 H8 F N3 O4
SMILES:O=C(O)C(N)CN1C=C(F)C(=O)NC1=O
InChi:InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Synonyms:FLUORO-WILLARDIINE
Definition date:2002-09-20
Last modified:2020-06-17
Identifier:3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine

225946

數據於2024-10-09公開中

PDB statisticsPDBj update infoContact PDBjnumon