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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

SWC

SWC
Name:	N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide
Formula:	C20 H33 F N3 O10 P S
SMILES:	OS(F)(O)c1ccc(CCNC(=O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)cc1
InChi:	InChI=1S/C20H33FN3O10PS/c1-20(2,13-34-35(29,30)31)18(27)19(28)24-12-9-17(26)23-11-8-16(25)22-10-7-14-3-5-15(6-4-14)36(21,32)33/h3-6,18,27,32-33H,7-13H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H2,29,30,31)/t18-/m0/s1
Definition date:	2022-07-12
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide

O0O

O0O
Name:	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H28 Cl2 N4 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C20H28Cl2N4O2/c21-13-18(27)24-14-15-5-11-26(12-6-15)19(28)20(7-9-23-10-8-20)25-17-3-1-16(22)2-4-17/h1-4,15,23,25H,5-14H2,(H,24,27)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide

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

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

UHY

UHY
Name:	N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
Formula:	C27 H32 N4 O2
SMILES:	N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc2)C(CC)=O)c3cnccc3
InChi:	InChI=1S/C27H32N4O2/c1-6-20-11-8-10-19(5)25(20)30-27(33)26(21-12-9-15-28-16-21)31(24(32)7-2)22-13-14-23(18(3)4)29-17-22/h8-18,26H,6-7H2,1-5H3,(H,30,33)/t26-/m1/s1
Definition date:	2020-05-18
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide

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

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

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

A1D5P

A1D5P
Name:	(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid
Formula:	C9 H11 N O4
SMILES:	N[CH]([CH](O)c1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1
Synonyms:	(betaS)-beta-hydroxy-D-tyrosine
Definition date:	2024-01-26
Last modified:	2024-09-27
Release date:	2024-06-12
Identifier:	(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid

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

KDG

KDG
Name:	2-KETO-3-DEOXYGLUCONATE
Formula:	C6 H10 O6
SMILES:	O=C(C(=O)O)CC(O)C(O)CO
InChi:	InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
Definition date:	2004-04-12
Last modified:	2024-09-27
Identifier:	3-deoxy-D-erythro-hex-2-ulosonic acid

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

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

SWG

SWG
Name:	2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
Formula:	C16 H16 N4 O4
SMILES:	N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:	InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1
Definition date:	2011-03-25
Last modified:	2024-09-27
Identifier:	2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid

Y5X

Y5X
Name:	2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide
Formula:	C12 H7 Cl F N3 O3
SMILES:	O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18)
Definition date:	2023-01-05
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide

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)

NLS

NLS
Name:	4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 F N2 O5 S2
SMILES:	N(c1nc(F)ccc1)S(c2ccc(S(=O)(=O)O)cc2)(=O)=O
InChi:	InChI=1S/C11H9FN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)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-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

SWH

SWH
Name:	{4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-)
Formula:	C24 H20 B F N O6 S
SMILES:	O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4
InChi:	InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13-
Synonyms:	HA155 INHIBITOR
Definition date:	2010-09-14
Last modified:	2024-09-27
Identifier:	{4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)

U4L

U4L
Name:	(4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile
Formula:	C26 H30 N8 O
SMILES:	CCC(=O)N1CC2(CCN(C2)c2nc(nc(c3c(C)ccc4[NH]ncc34)c2C#N)N2CCCC2)C1
InChi:	InChI=1S/C26H30N8O/c1-3-21(35)34-15-26(16-34)8-11-33(14-26)24-18(12-27)23(29-25(30-24)32-9-4-5-10-32)22-17(2)6-7-20-19(22)13-28-31-20/h6-7,13H,3-5,8-11,14-16H2,1-2H3,(H,28,31)
Definition date:	2022-08-04
Last modified:	2024-09-27
Release date:	2022-08-17
Identifier:	(4P)-4-(5-methyl-1H-indazol-4-yl)-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile

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

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

O0U

O0U
Name:	2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
Formula:	C22 H16 Cl N3 O4
SMILES:	CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2
InChi:	InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-11-09
Identifier:	2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide

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

VB7

VB7
Name:	{(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate
Formula:	C24 H26 N4 O6 S2
SMILES:	c4ncc(C(c3cc(C2c1ccccc1CCO2)cs3)=O)c(n4)NC5CC(C(C5)O)COS(=O)(N)=O
InChi:	InChI=1S/C24H26N4O6S2/c25-36(31,32)34-11-15-7-17(9-20(15)29)28-24-19(10-26-13-27-24)22(30)21-8-16(12-35-21)23-18-4-2-1-3-14(18)5-6-33-23/h1-4,8,10,12-13,15,17,20,23,29H,5-7,9,11H2,(H2,25,31,32)(H,26,27,28)/t15-,17-,20+,23+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	{(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate

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