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P82

P82
Name:	Para-Carborane di-propyl-sulfonamide
Formula:	C8 H16 B10 N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]189[B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15[C]%16%17%18%19CCC[S](N)(=O)=O
InChi:	InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-10(7)12(7)13(7)11(7,9)15(9)8(4-2-6-26(20,23)24)14(9,10,15)16(8,10,12)18(8,12,13)17(8,11,13)15/h1-6H2,(H2,19,21,22)(H2,20,23,24)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P8B

P8B
Name:	Para-Carborane propyl-sulfonamide
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%13%14%15[B]%16%17%18[B]8%19([B]169[B]2%16%19[B]3%13%17[B]47%11%14)[C]%10%12%15%18
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-11-6-4-7(6,11)9(4)10(4)8(4,6)12(5,6,11)14(5,8,10)15(5,9,10)13(5,7,9)11/h1-3H2,(H2,16,17,18)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P8Y

P8Y
Name:	(2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
Formula:	C12 H25 N O5 S
SMILES:	C(CS(CC1NCC(C(C1O)O)O)(=O)=O)CC(C)C
InChi:	InChI=1S/C12H25NO5S/c1-8(2)4-3-5-19(17,18)7-9-11(15)12(16)10(14)6-13-9/h8-16H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1
Definition date:	2019-08-06
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol

P9V

P9V
Name:	(2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
Formula:	C8 H17 N O3 S
SMILES:	CSCCC1NCC(C(C1O)O)O
InChi:	InChI=1S/C8H17NO3S/c1-13-3-2-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
Definition date:	2019-08-06
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol

O9Q

O9Q
Name:	2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C16 H12 O4
SMILES:	Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2
InChi:	InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3
Definition date:	2020-02-24
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one

O9T

O9T
Name:	2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C16 H12 O4
SMILES:	Cc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2
InChi:	InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3
Definition date:	2020-02-25
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one

O9Z

O9Z
Name:	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C15 H9 F O4
SMILES:	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3
InChi:	InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
Definition date:	2020-02-25
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one

PZ8

PZ8
Name:	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
Formula:	C13 H12 Cl N O2
SMILES:	Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2
InChi:	InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)
Definition date:	2020-05-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

NVQ

NVQ
Name:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccc(Br)cc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-24-13-6-14-25-20-19(27(2)33(31,32)18-7-4-3-5-8-18)21(29)26-22(30)28(20)15-16-9-11-17(23)12-10-16/h3-5,7-12,24-25H,6,13-15H2,1-2H3,(H,26,29,30)
Definition date:	2019-12-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

X99

X99
Name:	2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione
Formula:	C20 H21 F2 N3 O4
SMILES:	FC4(F)CC(C(=O)N1CCCC1)N(C(=O)CCN3C(=O)c2ccccc2C3=O)C4
InChi:	InChI=1S/C20H21F2N3O4/c21-20(22)11-15(19(29)23-8-3-4-9-23)25(12-20)16(26)7-10-24-17(27)13-5-1-2-6-14(13)18(24)28/h1-2,5-6,15H,3-4,7-12H2/t15-/m0/s1
Definition date:	2008-10-09
Last modified:	2020-08-12
Identifier:	2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione

L1L

L1L
Name:	2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H14 N O8 P
SMILES:	N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O
InChi:	InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
Synonyms:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
Definition date:	2016-02-09
Last modified:	2020-08-11
Release date:	2016-08-10
Identifier:	[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate

GPO

GPO
Name:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
Formula:	C7 H15 O10 P
SMILES:	O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChi:	InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
Synonyms:	4-O-phosphono-D-glycero-beta-D-manno-heptose
Definition date:	2008-03-28
Last modified:	2020-08-11
Identifier:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose

RV7

RV7
Name:	4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O4
SMILES:	C1(OC(C(C(C1O)O)N)C)O
InChi:	InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2020-02-26
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	4-amino-4,6-dideoxy-alpha-D-glucopyranose

TWG

TWG
Name:	6-thio-alpha-D-mannopyranose
Formula:	C6 H12 O5 S
SMILES:	C1(OC(C(C(C1O)O)O)CS)O
InChi:	InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2020-04-01
Last modified:	2020-08-11
Release date:	2020-07-29
Identifier:	6-thio-alpha-D-mannopyranose

KY3

KY3
Name:	(1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid
Formula:	C13 H18 O4 S
SMILES:	CO[CH]1C[CH](OC)[CH](C[CH]1C(O)=O)c2sccc2
InChi:	InChI=1S/C13H18O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-5,8-11H,6-7H2,1-2H3,(H,14,15)/t8-,9+,10+,11+/m1/s1
Definition date:	2019-11-27
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(1~{S},2~{S},4~{S},5~{R})-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid

OQ2

OQ2
Name:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
Formula:	C33 H40 F3 N7 O3
SMILES:	CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:	InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1
Definition date:	2020-03-27
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide

OQ8

OQ8
Name:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
Formula:	C33 H40 F3 N7 O3
SMILES:	CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F
InChi:	InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1
Definition date:	2020-03-27
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide

QSM

QSM
Name:	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole
Formula:	C24 H30 N2 O2
SMILES:	N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC)c2C(C)C)cc3)CC4
InChi:	InChI=1S/C24H30N2O2/c1-15(2)23-19-13-17(16-9-11-25-12-10-16)5-7-20(19)26-24(23)18-6-8-21(27-3)22(14-18)28-4/h5-8,13-16,25-26H,9-12H2,1-4H3
Definition date:	2019-12-17
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole

2TI

2TI
Name:	(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
Formula:	C14 H26 N2 O11 P2
SMILES:	CCNC(=O)[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O
InChi:	InChI=1S/C14H26N2O11P2/c1-3-15-13(20)11(16-9(2)17)6-7-28(23,27-29(24,25)26)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,24,25,26)/t10-,11-,28+/m1/s1
Definition date:	2020-03-03
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid

QZ4

QZ4
Name:	4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C23 H37 F2 N3 O5
SMILES:	C(CC1CCCCC1)(C(NC(CC2C(=O)NCC2)CO)=O)NC(=O)OC3CCC(CC3)(F)F
InChi:	InChI=1S/C23H37F2N3O5/c24-23(25)9-6-18(7-10-23)33-22(32)28-19(12-15-4-2-1-3-5-15)21(31)27-17(14-29)13-16-8-11-26-20(16)30/h15-19,29H,1-14H2,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1
Definition date:	2020-01-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

QZ7

QZ7
Name:	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C20 H33 F2 N3 O5
SMILES:	C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F
InChi:	InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1
Definition date:	2020-01-15
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

QZD

QZD
Name:	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C20 H35 N3 O7
SMILES:	C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2
InChi:	InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1
Definition date:	2020-01-17
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

QZG

QZG
Name:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide
Formula:	C23 H41 N3 O5
SMILES:	C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C
InChi:	InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1
Definition date:	2020-01-17
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide

QZJ

QZJ
Name:	N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C22 H39 N3 O5
SMILES:	C(CC1C(=O)NCC1)(NC(C(CC(C)C)NC(=O)OC2CCC(CC2)CC)=O)CO
InChi:	InChI=1S/C22H39N3O5/c1-4-15-5-7-18(8-6-15)30-22(29)25-19(11-14(2)3)21(28)24-17(13-26)12-16-9-10-23-20(16)27/h14-19,26H,4-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1
Definition date:	2020-01-17
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

RZP

RZP
Name:	(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
Formula:	C12 H21 N O12 P2
SMILES:	CC(=O)N[CH](CCC(O)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O
InChi:	InChI=1S/C12H21NO12P2/c1-7(14)13-9(3-5-11(17)18)26(21,25-27(22,23)24)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid

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