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RMV
RMV
Name:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
Formula:C17 H25 N5 O S2
SMILES:C(C)N(CCNC(CSc1nc(c2c(n1)sc3c2CCC3)N)=O)CC
InChi:InChI=1S/C17H25N5OS2/c1-3-22(4-2)9-8-19-13(23)10-24-17-20-15(18)14-11-6-5-7-12(11)25-16(14)21-17/h3-10H2,1-2H3,(H,19,23)(H2,18,20,21)
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
RN4
RN4
Name:(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:C24 H30 N4 S2
SMILES:C1CCCCN1CCCSc2nc(N)c5c(n2)sc3c5CCC(C3)c4ccccc4
InChi:InChI=1S/C24H30N4S2/c25-22-21-19-11-10-18(17-8-3-1-4-9-17)16-20(19)30-23(21)27-24(26-22)29-15-7-14-28-12-5-2-6-13-28/h1,3-4,8-9,18H,2,5-7,10-16H2,(H2,25,26,27)/t18-/m0/s1
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
RN7
RN7
Name:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
Formula:C18 H25 N5 O2 S2
SMILES:C3Cc2c1c(N)nc(nc1sc2CC3)SCC(NCCN4CCOCC4)=O
InChi:InChI=1S/C18H25N5O2S2/c19-16-15-12-3-1-2-4-13(12)27-17(15)22-18(21-16)26-11-14(24)20-5-6-23-7-9-25-10-8-23/h1-11H2,(H,20,24)(H2,19,21,22)
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
RNJ
RNJ
Name:(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:C19 H26 N4 S2
SMILES:C4CCCN(CCCSc1nc(c2c(n1)sc3c2C=CC(C3)C)N)C4
InChi:InChI=1S/C19H26N4S2/c1-13-6-7-14-15(12-13)25-18-16(14)17(20)21-19(22-18)24-11-5-10-23-8-3-2-4-9-23/h6-7,13H,2-5,8-12H2,1H3,(H2,20,21,22)/t13-/m1/s1
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
RNM
RNM
Name:(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:C18 H26 N4 S2
SMILES:Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C
InChi:InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
RNV
RNV
Name:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
Formula:C18 H27 N5 O S2
SMILES:C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)N(CC)CC
InChi:InChI=1S/C18H27N5OS2/c1-3-23(4-2)10-9-20-14(24)11-25-18-21-16(19)15-12-7-5-6-8-13(12)26-17(15)22-18/h3-11H2,1-2H3,(H,20,24)(H2,19,21,22)
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
ROG
ROG
Name:2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:C17 H24 N4 S2
SMILES:C1CCC(CN1C)CSc2nc(c3c(n2)sc4c3CCCC4)N
InChi:InChI=1S/C17H24N4S2/c1-21-8-4-5-11(9-21)10-22-17-19-15(18)14-12-6-2-3-7-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20)/t11-/m0/s1
Definition date:2020-02-17
Last modified:2020-05-29
Release date:2020-06-03
Identifier:2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
R8A
R8A
Name:(2-aminopyridin-3-yl)methanol
Formula:C6 H8 N2 O
SMILES:c1nc(N)c(CO)cc1
InChi:InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(2-aminopyridin-3-yl)methanol
R8P
R8P
Name:(1S)-1-(4-nitrophenyl)ethan-1-ol
Formula:C8 H9 N O3
SMILES:c1cc(ccc1[N+]([O-])=O)C(C)O
InChi:InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(1S)-1-(4-nitrophenyl)ethan-1-ol
R8V
R8V
Name:(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
Formula:C9 H9 N O2
SMILES:c1cc2c(cc1)C(N(C)C2O)=O
InChi:InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
R97
R97
Name:2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine
Formula:C10 H10 N2 S
SMILES:C(c1ccccn1)c2nc(C)cs2
InChi:InChI=1S/C10H10N2S/c1-8-7-13-10(12-8)6-9-4-2-3-5-11-9/h2-5,7H,6H2,1H3
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine
R9G
R9G
Name:(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
Formula:C12 H15 N O2
SMILES:c2c(C(N1CCCC1)=O)cc(cc2)OC
InChi:InChI=1S/C12H15NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
R9J
R9J
Name:2-methyl-N-(4-methylphenyl)-L-alanine
Formula:C11 H15 N O2
SMILES:c1(ccc(cc1)C)NC(C)(C)C(O)=O
InChi:InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)12-11(2,3)10(13)14/h4-7,12H,1-3H3,(H,13,14)
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:2-methyl-N-(4-methylphenyl)-L-alanine
R9M
R9M
Name:3-(1,3-thiazol-2-yl)propanoic acid
Formula:C6 H7 N O2 S
SMILES:C(C(O)=O)Cc1nccs1
InChi:InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:3-(1,3-thiazol-2-yl)propanoic acid
R9V
R9V
Name:(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
Formula:C14 H19 N O
SMILES:c1ccccc1CN3C2CC(CC3CC2)O
InChi:InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
R9Y
R9Y
Name:1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
Formula:C11 H16 N2
SMILES:c12cc(ccc1N(CCC2)C)CN
InChi:InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
RA7
RA7
Name:[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
Formula:C8 H12 N2 O2 S
SMILES:C1CN(CCO1)c2sc(CO)cn2
InChi:InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
RB7
RB7
Name:N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
Formula:C11 H16 Br N O2 S
SMILES:c1cc(Br)c(cc1CNCCS(C)(=O)=O)C
InChi:InChI=1S/C11H16BrNO2S/c1-9-7-10(3-4-11(9)12)8-13-5-6-16(2,14)15/h3-4,7,13H,5-6,8H2,1-2H3
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
RBG
RBG
Name:(2R)-N-tert-butylpiperidine-2-carboxamide
Formula:C10 H20 N2 O
SMILES:C(C1CCCCN1)(=O)NC(C)(C)C
InChi:InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(2R)-N-tert-butylpiperidine-2-carboxamide
RD4
RD4
Name:3-ethoxybenzene-1-carboximidamide
Formula:C9 H12 N2 O
SMILES:c1c(cc(C(=N)N)cc1)OCC
InChi:InChI=1S/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:3-ethoxybenzene-1-carboximidamide
RDJ
RDJ
Name:N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Formula:C9 H15 N3 O2 S
SMILES:c1(SCC(=O)NCC)nnc(o1)C(C)C
InChi:InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
RDV
RDV
Name:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
Formula:C12 H22 N2 O
SMILES:C2C(CCC(=O)N1CCNCC1)CCC2
InChi:InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
RDY
RDY
Name:N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
Formula:C12 H15 N O4
SMILES:O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C
InChi:InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
RE7
RE7
Name:(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
Formula:C13 H16 F N3
SMILES:c1cc(ccc1F)C(NCCn2cccn2)C
InChi:InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
REG
REG
Name:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
Formula:C11 H20 N2 O2
SMILES:O=C(NC[CH]1CCCO1)NC2CCCC2
InChi:InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1
Definition date:2020-02-10
Last modified:2020-05-29
Release date:2020-06-03
Identifier:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea

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