Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
S1P
S1P
表記:(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
組成式:C18 H38 N O5 P
SMILES:O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(O)O
InChi:InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
別名:sphingosine 1-phosphate
定義日:2009-07-14
最終更新日:2020-06-17
識別子（ID）:(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
MCI
MCI
表記:(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID
組成式:C19 H19 N5 O3 S2
SMILES:O=C(O)C(=NC(=O)C(CCc1ccccc1)CS)/c2sc(cc2)Cn3nnnc3
InChi:InChI=1S/C19H19N5O3S2/c25-18(14(11-28)7-6-13-4-2-1-3-5-13)21-17(19(26)27)16-9-8-15(29-16)10-24-12-20-22-23-24/h1-5,8-9,12,14,28H,6-7,10-11H2,(H,26,27)/t14-/m1/s1
別名:MERCAPTOCARBOXYLATE INHIBITOR
定義日:1999-11-10
最終更新日:2020-06-17
識別子（ID）:(2E)-{[(2S)-4-phenyl-2-(sulfanylmethyl)butanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)thiophen-2-yl]ethanoic acid
1FV
1FV
表記:N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
組成式:C26 H36 N6 O2
SMILES:O=C(NCCCNc1nc(ncc1C2CC2)Nc3cc(ccc3)CN4CCOCC4)C5CCC5
InChi:InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
別名:MRT67307
定義日:2013-01-18
最終更新日:2020-06-17
公開日:2013-03-06
識別子（ID）:N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
S1T
S1T
表記:2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
組成式:C15 H23 N3 O8 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C
InChi:InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m0/s1
別名:2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP
定義日:2007-06-18
最終更新日:2020-06-17
識別子（ID）:2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1S)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
ZPT
ZPT
表記:Trichloro(ethene)platinate(II)
組成式:C2 H4 Cl3 Pt
SMILES:[Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1
InChi:InChI=1S/C2H4.3ClH.Pt/c1-2
別名:Zeise's salt
定義日:2016-07-13
最終更新日:2020-06-17
公開日:2016-09-21
U49
U49
表記:(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI AZA-CYCLOOCTADECOSINE-9-CARBONITRILE
組成式:C26 H21 N5 O2
SMILES:O=C3N4c6c5cc(Oc1cc(ccc1C#N)Cn2cncc2CNC3CC4)ccc5ccc6
InChi:InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1
別名:COMPOUND 49
定義日:2002-04-25
最終更新日:2020-06-17
識別子（ID）:(5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyclo[18.6.2.1~2,5~.1~14,18~.0~8,12~.0~23,27~]triaconta-1(27),8,10,14(29),15,17,20(28),21,23,25-decaene-17-carbonitrile (non-preferred name)
QV7
QV7
表記:3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
組成式:C22 H16 N4 O13 S4
SMILES:O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4
InChi:InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+
別名:Ponceau S
定義日:2011-03-01
最終更新日:2020-06-17
識別子（ID）:3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid
MCX
MCX
表記:(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C30 H51 N5 O5
SMILES:O=C(N3C(C(=O)NC(CC1CCC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)NC4(C)CCCCC4)C(C)(C)C
InChi:InChI=1S/C30H51N5O5/c1-28(2,3)23(33-27(40)34-30(6)13-8-7-9-14-30)26(39)35-16-18-20(29(18,4)5)21(35)25(38)32-19(22(36)24(31)37)15-17-11-10-12-17/h17-23,36H,7-16H2,1-6H3,(H2,31,37)(H,32,38)(H2,33,34,40)/t18-,19-,20-,21-,22+,23+/m0/s1
別名:Boceprevir derivative, bound form
定義日:2010-02-08
最終更新日:2020-06-17
識別子（ID）:(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
1GA
1GA
表記:Geraniline
組成式:C16 H21 N
SMILES:C2=C(CCC=C(CNc1ccc(cc1)C2)C)C
InChi:InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+
別名:(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene
定義日:2012-01-31
最終更新日:2020-06-17
識別子（ID）:(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene
S26
S26
表記:ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate
組成式:C18 H13 Cl N2 O4 S2
SMILES:CCOC(=O)C1=C(O)C(=O)N([CH]1c2sccc2)c3sc4cc(Cl)ccc4n3
InChi:InChI=1S/C18H13ClN2O4S2/c1-2-25-17(24)13-14(11-4-3-7-26-11)21(16(23)15(13)22)18-20-10-6-5-9(19)8-12(10)27-18/h3-8,14,22H,2H2,1H3/t14-/m1/s1
別名:PS267
定義日:2016-12-22
最終更新日:2020-06-17
公開日:2017-01-18
識別子（ID）:ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate
MCZ
MCZ
表記:(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
組成式:C26 H42 O4
SMILES:OC3C(=C)C(=C/C=C1CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12)CC(O)C3
InChi:InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1
別名:Maxacalcitol
定義日:2011-06-28
最終更新日:2020-06-17
識別子（ID）:(1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol
MD7
MD7
表記:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
組成式:C19 H16 N2 O2
SMILES:O=C(C(C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3
InChi:InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-
別名:N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide
定義日:2009-02-02
最終更新日:2020-06-17
識別子（ID）:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
NZA
NZA
表記:5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
組成式:C22 H15 Cl2 N O2 S
SMILES:Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc3ccccc3)c4C(=O)O
InChi:InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
別名:NTZDPA
定義日:2007-06-25
最終更新日:2020-06-17
識別子（ID）:5-chloro-1-(4-chlorobenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
VSC
VSC
表記:N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
組成式:C34 H36 N2 O6 S
SMILES:O=S(=O)(Oc1ccccc1)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4
InChi:InChI=1S/C34H36N2O6S/c37-33(32(25-28-15-7-2-8-16-28)36-34(38)41-26-29-17-9-3-10-18-29)35-30(22-21-27-13-5-1-6-14-27)23-24-43(39,40)42-31-19-11-4-12-20-31/h1-20,30,32H,21-26H2,(H,35,37)(H,36,38)/t30-,32-/m0/s1
別名:WRR-204
定義日:2000-05-03
最終更新日:2020-06-17
識別子（ID）:phenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonate
KBR
KBR
表記:Icaridin
組成式:C12 H23 N O3
SMILES:CC[CH](C)OC(=O)N1CCCC[CH]1CCO
InChi:InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1
別名:Picaridin
定義日:2015-11-04
最終更新日:2020-06-17
公開日:2016-08-31
識別子（ID）:[(2~{R})-butan-2-yl] (2~{S})-2-(2-hydroxyethyl)piperidine-1-carboxylate
N6P
N6P
表記:6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine
組成式:C20 H19 N4 O7 P
SMILES:O=P(O)(O)OCC5OC(n2cnc1c(ncnc12)c4cc3ccccc3cc4)C(O)C5O
InChi:InChI=1S/C20H19N4O7P/c25-17-14(8-30-32(27,28)29)31-20(18(17)26)24-10-23-16-15(21-9-22-19(16)24)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,14,17-18,20,25-26H,8H2,(H2,27,28,29)/t14-,17-,18-,20-/m1/s1
別名:6-Naphthylpurine riboside 5'-monophosphate
定義日:2014-03-21
最終更新日:2020-06-17
公開日:2014-08-20
識別子（ID）:6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine
N6S
N6S
表記:(2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate
組成式:C19 H22 N5 O6 P
SMILES:O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O
InChi:InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13-,15+,16-,19+/m0/s1
別名:(2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi nine-2,7-diol 2-oxide
定義日:2009-07-08
最終更新日:2020-06-17
識別子（ID）:(2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
U51
U51
表記:(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid
組成式:C20 H32 N2 O2
SMILES:O=C(O)CCC/C=CCC2C1N=NC(C1)C2/C=C/CCCCCC
InChi:InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1
別名:9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID
定義日:2005-11-11
最終更新日:2020-06-17
識別子（ID）:(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid
JI1
JI1
表記:3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
組成式:C13 H22 N4 O
SMILES:n1c(N)cccc1CC2CNCC2NCCCO
InChi:InChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1
別名:(+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
定義日:2007-10-23
最終更新日:2020-06-17
識別子（ID）:3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
NZO
NZO
表記:nocodazole
組成式:C14 H11 N3 O3 S
SMILES:O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3
InChi:InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
別名:methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
定義日:2008-09-04
最終更新日:2020-06-17
識別子（ID）:methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
JI5
JI5
表記:N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
組成式:C21 H30 F N5
SMILES:Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
別名:N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
定義日:2009-09-23
最終更新日:2020-06-17
識別子（ID）:N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
JXG
JXG
表記:(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
組成式:C8 H13 N3 O6 S
SMILES:OS(=O)(=O)ONC1CN(C(C(=C1)C)C(=O)N)C=O
InChi:InChI=1S/C8H13N3O6S/c1-5-2-6(10-17-18(14,15)16)3-11(4-12)7(5)8(9)13/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7+/m1/s1
別名:ETX2514 bound form
定義日:2018-10-09
最終更新日:2020-06-17
公開日:2019-02-27
識別子（ID）:(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
JIA
JIA
表記:(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
組成式:C19 H39 N5 O9
SMILES:CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O
InChi:InChI=1S/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,20-23H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
別名:JI-20A
定義日:2018-02-02
最終更新日:2020-06-17
公開日:2019-01-16
識別子（ID）:(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
QWE
QWE
表記:amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium
組成式:C29 H40 N7 O4 S2
SMILES:O=C(c1nccs1)CCC4N(C(=O)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N)CCCC4
InChi:InChI=1S/C29H39N7O4S2/c1-35(2)24-12-5-10-22-21(24)9-6-13-26(22)42(39,40)34-23(11-7-16-33-29(30)31)28(38)36-18-4-3-8-20(36)14-15-25(37)27-32-17-19-41-27/h5-6,9-10,12-13,17,19-20,23,34H,3-4,7-8,11,14-16,18H2,1-2H3,(H4,30,31,33)/p+1/t20-,23+/m1/s1
別名:RWJ-50215
定義日:2009-07-02
最終更新日:2020-06-17
識別子（ID）:amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]piperidin-1-yl}pentyl]amino}methaniminium
O01
O01
表記:[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine
組成式:C9 H12 N4 S
SMILES:n2c(sc(c1cc(CN)nn1)c2C)C
InChi:InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13)
別名:1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine
定義日:2016-08-25
最終更新日:2020-06-17
公開日:2016-09-07
識別子（ID）:1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine

223166

件を2024-07-31に公開中

PDB statisticsPDBj update infoContact PDBjnumon