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PO3

PO3
Name:	PHOSPHITE ION
Formula:	O3 P
SMILES:	[O-][PH2-]([O-])=O
InChi:	InChI=1S/O3P/c1-4(2)3/q-3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	dihydrido(dioxido)oxophosphate(1-)

NLJ

NLJ
Name:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

VPI

VPI
Name:	[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Formula:	C17 H34 N3 O8 P
SMILES:	CC(=O)NCCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:	InChI=1S/C17H34N3O8P/c1-13(21)18-9-6-4-5-7-10-19-14(22)8-11-20-16(24)15(23)17(2,3)12-28-29(25,26)27/h15,23H,4-12H2,1-3H3,(H,18,21)(H,19,22)(H,20,24)(H2,25,26,27)/t15-/m0/s1
Definition date:	2023-08-02
Last modified:	2024-09-27
Release date:	2023-11-01
Identifier:	[(3~{R})-4-[[3-(6-acetamidohexylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate

WKE

WKE
Name:	(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
Formula:	C11 H20 N2 O7
SMILES:	C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO
InChi:	InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1
Definition date:	2023-05-17
Last modified:	2024-09-27
Release date:	2024-04-03
Identifier:	(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide

Y5O

Y5O
Name:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1
InChi:	InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide

UVH

UVH
Name:	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
Formula:	C14 H20 N2 O3 S
SMILES:	CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde

S2K

S2K
Name:	(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
Formula:	C12 H21 N3 O7
SMILES:	N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1
Definition date:	2020-11-06
Last modified:	2024-09-27
Release date:	2021-10-06
Identifier:	(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

VAY

VAY
Name:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
Formula:	C22 H24 Br N5 O7 S2
SMILES:	C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4cc(C(C)(c3cccc(n3)Br)O)cs4)=O)O)O
InChi:	InChI=1S/C22H24BrN5O7S2/c1-22(32,16-3-2-4-17(23)28-16)12-6-15(36-9-12)19(30)13-7-25-10-26-21(13)27-14-5-11(18(29)20(14)31)8-35-37(24,33)34/h2-4,6-7,9-11,14,18,20,29,31-32H,5,8H2,1H3,(H2,24,33,34)(H,25,26,27)/t11-,14-,18-,20+,22+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-10
Identifier:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate

UI5

UI5
Name:	(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
Formula:	C6 H13 N O3
SMILES:	N[CH]1C[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
Definition date:	2023-09-05
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

YJ2

YJ2
Name:	(2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE
Formula:	C25 H25 Br Cl N3 O4 S
SMILES:	O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Br)cc3)CC4)C5
InChi:	InChI=1S/C25H25BrClN3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:	2011-05-18
Last modified:	2024-09-27
Identifier:	(4R)-1-{[1-(4-bromophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-[1-(iminomethyl)cyclopropyl]-L-prolinamide

NLM

NLM
Name:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 Cl N2 O5 S2
SMILES:	N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
InChi:	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

NLN

NLN
Name:	NORLEUCINE AMIDE
Formula:	C6 H14 N2 O
SMILES:	O=C(N)C(N)CCCC
InChi:	InChI=1S/C6H14N2O/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H2,8,9)/t5-/m0/s1
Synonyms:	2-AMINO-HEXANOIC ACID AMIDE
Definition date:	2000-02-02
Last modified:	2024-09-27
Identifier:	L-norleucinamide

ZKO

ZKO
Name:	N-SUCCINYL-GLUTAMINE
Formula:	C9 H14 N2 O6
SMILES:	NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:	InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1
Synonyms:	5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-24
Identifier:	5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid

N7K

N7K
Name:	~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Formula:	C29 H25 N7 O
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23
InChi:	InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

XSA

XSA
Name:	(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid
Formula:	C6 H15 B N2 O4
SMILES:	C(C(O)=O)(NCCN)CCB(O)O
InChi:	InChI=1S/C6H15BN2O4/c8-3-4-9-5(6(10)11)1-2-7(12)13/h5,9,12-13H,1-4,8H2,(H,10,11)/t5-/m1/s1
Definition date:	2021-01-08
Last modified:	2024-09-27
Release date:	2022-02-09
Identifier:	(2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid

NLO

NLO
Name:	O-METHYL-L-NORLEUCINE
Formula:	C7 H15 N O2
SMILES:	O=C(OC)C(N)CCCC
InChi:	InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
Definition date:	2004-01-27
Last modified:	2024-09-27
Identifier:	methyl L-norleucinate

Y5S

Y5S
Name:	(1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H41 N3 O8 S
SMILES:	CC(CC(C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)NC(OCC3CC2CCCC(C2)C3)=O)C
InChi:	InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1
Definition date:	2021-02-04
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(1S,2S)-2-{[N-({[(3-endo)-bicyclo[3.3.1]nonan-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

UVK

UVK
Name:	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:	C15 H12 F N O4 S
SMILES:	Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

PO8

PO8
Name:	(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C7 H16 N O5
SMILES:	[NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1
Definition date:	2020-04-26
Last modified:	2024-09-27
Release date:	2021-05-12
Identifier:	[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium

XDV

XDV
Name:	2-[2-(2-aminoethoxy)ethoxy]acetamide
Formula:	C6 H14 N2 O3
SMILES:	NC(COCCOCCN)=O
InChi:	InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	2-[2-(2-aminoethoxy)ethoxy]acetamide

XDY

XDY
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C14 H20 N4 O5
SMILES:	C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O
InChi:	InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

POA

POA
Name:	PHOSPHONOACETALDEHYDE
Formula:	C2 H5 O4 P
SMILES:	O=CCP(=O)(O)O
InChi:	InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
Definition date:	2002-07-12
Last modified:	2024-09-27
Identifier:	(2-oxoethyl)phosphonic acid

ME7

ME7
Name:	1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
Formula:	C10 H8 N2 O4
SMILES:	O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O
InChi:	InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
Definition date:	2011-03-04
Last modified:	2024-09-27
Identifier:	1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)

ZKR

ZKR
Name:	[5-(trifluoromethyl)thiophen-2-yl]boronic acid
Formula:	C5 H4 B F3 O2 S
SMILES:	FC(F)(F)c1ccc(s1)B(O)O
InChi:	InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
Definition date:	2023-06-28
Last modified:	2024-09-27
Release date:	2024-07-17
Identifier:	[5-(trifluoromethyl)thiophen-2-yl]boronic acid

YWX

YWX
Name:	2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one
Formula:	C19 H13 F3 N6 O
SMILES:	O=C(Cn1cnc(C=N)n1)n1cc2cc(cnc2c1)c1ccccc1C(F)(F)F
InChi:	InChI=1S/C19H13F3N6O/c20-19(21,22)15-4-2-1-3-14(15)12-5-13-8-27(9-16(13)24-7-12)18(29)10-28-11-25-17(6-23)26-28/h1-9,11,23H,10H2/b23-6-
Synonyms:	inhibitor CT1, bound form
Definition date:	2023-03-02
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one

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