Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 39836 results BIRD

M3Y

M3Y
Name:	5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide
Formula:	C15 H15 N7 O3 S
SMILES:	c3c(ccc(Nc2nc(N)n(C(Nc1ccccc1)=O)n2)c3)S(N)(=O)=O
InChi:	InChI=1S/C15H15N7O3S/c16-13-20-14(18-11-6-8-12(9-7-11)26(17,24)25)21-22(13)15(23)19-10-4-2-1-3-5-10/h1-9H,(H,19,23)(H2,17,24,25)(H3,16,18,20,21)
Definition date:	2019-03-21
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide

M4P

M4P
Name:	[4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
Formula:	C18 H15 N7 O4
SMILES:	OC(COc1ccc(cc1)NC(n3c(nc(Nc2ccc(C#N)cc2)n3)N)=O)=O
InChi:	InChI=1S/C18H15N7O4/c19-9-11-1-3-12(4-2-11)21-17-23-16(20)25(24-17)18(28)22-13-5-7-14(8-6-13)29-10-15(26)27/h1-8H,10H2,(H,22,28)(H,26,27)(H3,20,21,23,24)
Definition date:	2019-03-22
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid

M57

M57
Name:	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid
Formula:	C19 H16 N8 O6 S
SMILES:	OC(=O)c1nc(oc1)c2ccc(cc2)NC(n3nc(nc3N)Nc4ccc(cc4)S(N)(=O)=O)=O
InChi:	InChI=1S/C19H16N8O6S/c20-17-25-18(22-11-5-7-13(8-6-11)34(21,31)32)26-27(17)19(30)23-12-3-1-10(2-4-12)15-24-14(9-33-15)16(28)29/h1-9H,(H,23,30)(H,28,29)(H2,21,31,32)(H3,20,22,25,26)
Definition date:	2019-03-25
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid

DO9

DO9
Name:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea
Formula:	C19 H15 N5 S2
SMILES:	S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N
InChi:	InChI=1S/C19H15N5S2/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)
Definition date:	2019-08-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea

DU6

DU6
Name:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
Formula:	C19 H15 N5 O S
SMILES:	O=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N
InChi:	InChI=1S/C19H15N5OS/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)
Definition date:	2019-08-27
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea

QNA

QNA
Name:	(1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Formula:	C10 H9 B F O5
SMILES:	OC(=O)c1c(F)ccc2[CH]3C[CH]3[B-](O)(O)Oc12
InChi:	InChI=1S/C10H9BFO5/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14/h1-2,5-6,15-16H,3H2,(H,13,14)/q-1/t5-,6-/m1/s1
Definition date:	2019-11-24
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2~{S},4~{R})-9-fluoranyl-5,5-bis(oxidanyl)-6-oxa-5-boranuidatricyclo[5.4.0.0^{2,4}]undeca-1(11),7,9-triene-8-carboxylic acid

QS7

QS7
Name:	N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide
Formula:	C23 H23 Cl2 N5 O5
SMILES:	c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C
InChi:	InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
Definition date:	2019-12-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide

RM9

RM9
Name:	(1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Formula:	C10 H8 B F O4
SMILES:	B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O
InChi:	InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1
Definition date:	2019-11-24
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid

NWT

NWT
Name:	N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
Formula:	C39 H52 F2 N6 O8
SMILES:	CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O
InChi:	InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1
Definition date:	2020-01-06
Last modified:	2020-03-20
Release date:	2020-03-25

DJ0

DJ0
Name:	3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal
Formula:	C16 H14 F2 O2
SMILES:	Fc1cc(F)c(OCc2ccccc2)c(CCC=O)c1
InChi:	InChI=1S/C16H14F2O2/c17-14-9-13(7-4-8-19)16(15(18)10-14)20-11-12-5-2-1-3-6-12/h1-3,5-6,8-10H,4,7,11H2
Definition date:	2019-07-31
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal

DJC

DJC
Name:	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
Formula:	C16 H12 F4 O
SMILES:	Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F
InChi:	InChI=1S/C16H12F4O/c17-13-7-8-15(16(18,19)20)14(10-13)12-5-3-11(4-6-12)2-1-9-21/h3-10H,1-2H2
Definition date:	2019-07-31
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal

T67

T67
Name:	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
Formula:	C14 H18 N4 O
SMILES:	N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C
InChi:	InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)13(19)9-11-10-16-14-12(11)3-2-4-15-14/h2-4,10H,5-9H2,1H3,(H,15,16)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one

T6J

T6J
Name:	2-[(methylsulfonyl)methyl]-1H-benzimidazole
Formula:	C9 H10 N2 O2 S
SMILES:	n1c(nc2ccccc12)CS(C)(=O)=O
InChi:	InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-[(methylsulfonyl)methyl]-1H-benzimidazole

T6M

T6M
Name:	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C12 H15 Cl N2 O3 S
SMILES:	N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O
InChi:	InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

T6V

T6V
Name:	N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide
Formula:	C12 H13 N O3 S
SMILES:	c1cc(ccc1)N(C(C)=O)C2C=CS(C2)(=O)=O
InChi:	InChI=1S/C12H13NO3S/c1-10(14)13(11-5-3-2-4-6-11)12-7-8-17(15,16)9-12/h2-8,12H,9H2,1H3/t12-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide

T6Y

T6Y
Name:	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H15 Cl N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl
InChi:	InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

T71

T71
Name:	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C14 H20 N2 O3 S
SMILES:	N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one

T7A

T7A
Name:	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
Formula:	C10 H10 N2 O2 S
SMILES:	n2c1c(cccc1OC)sc2NC(C)=O
InChi:	InChI=1S/C10H10N2O2S/c1-6(13)11-10-12-9-7(14-2)4-3-5-8(9)15-10/h3-5H,1-2H3,(H,11,12,13)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide

T7D

T7D
Name:	N-(1-acetylpiperidin-4-yl)benzamide
Formula:	C14 H18 N2 O2
SMILES:	N(C1CCN(CC1)C(C)=O)C(c2ccccc2)=O
InChi:	InChI=1S/C14H18N2O2/c1-11(17)16-9-7-13(8-10-16)15-14(18)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,15,18)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(1-acetylpiperidin-4-yl)benzamide

T7G

T7G
Name:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
Formula:	C14 H18 N2 O3
SMILES:	N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide

T7J

T7J
Name:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
Formula:	C13 H15 N O3 S
SMILES:	C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChi:	InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide

T7P

T7P
Name:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
Formula:	C12 H12 F N O3 S
SMILES:	C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2
InChi:	InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide

T7S

T7S
Name:	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
Formula:	C13 H22 N2 O2
SMILES:	N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O
InChi:	InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one

T7V

T7V
Name:	N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
Formula:	C10 H12 Cl N O
SMILES:	c1cc(Cl)cc(C(C)NC(=O)C)c1
InChi:	InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

T7Y

T7Y
Name:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
Formula:	C12 H14 N2 O2
SMILES:	N2(c1cccc(c1)NC(C)=O)CCCC2=O
InChi:	InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

<736 737 738 739 740 741 742743744 745 746 747 748 749 750 751 >

222624

数据于2024-07-17公开中

PDB statistics

PDBj update info

Contact PDBj

numon