Chemie Search results for query - Protein Data Bank Japan

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: 44216 results BIRD

KNM

KNM
Name:	ADA-(AHX)3-(LEU)3-VINYL SULFONE
Formula:	C51 H92 N6 O8 S
SMILES:	CC(C)C[CH](CC[S](C)(=O)=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChi:	InChI=1S/C51H92N6O8S/c1-36(2)26-42(21-25-66(7,64)65)55-49(62)44(28-38(5)6)57-50(63)43(27-37(3)4)56-47(60)20-12-8-9-15-22-52-45(58)18-13-10-16-23-53-46(59)19-14-11-17-24-54-48(61)35-51-32-39-29-40(33-51)31-41(30-39)34-51/h36-44H,8-35H2,1-7H3,(H,52,58)(H,53,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)/t39?,40?,41?,42-,43+,44+,51?/m1/s1
Definition date:	2015-05-12
Last modified:	2024-09-27
Release date:	2015-12-29
Identifier:	7-[6-[6-[2-(1-adamantyl)ethanoylamino]hexanoylamino]hexanoylamino]-N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-methylsulfonyl-hexan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]heptanamide

T6H

T6H
Name:	2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H17 N O2 S
SMILES:	CC(C)(Oc1ccccc1)C(=O)NCCS
InChi:	InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide

ZG0

ZG0
Name:	N-(3-methylphenyl)acetamide
Formula:	C9 H11 N O
SMILES:	O=C(C)Nc1cc(C)ccc1
InChi:	InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	N-(3-methylphenyl)acetamide

4LZ

4LZ
Name:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
Formula:	C11 H15 N4 O3
SMILES:	C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:	InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
Definition date:	2015-04-14
Last modified:	2024-09-27
Release date:	2015-05-06
Identifier:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine

ZX0

ZX0
Name:	(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
Formula:	C12 H22 N4 O6 S
SMILES:	O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:	InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1
Definition date:	2009-12-03
Last modified:	2024-09-27
Identifier:	(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline

T8P

T8P
Name:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Formula:	C13 H18 N2 O2
SMILES:	N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C
InChi:	InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

WUZ

WUZ
Name:	N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide
Formula:	C19 H16 Cl2 N2 O3
SMILES:	Clc1ccc(CNC(=O)c2ccc(cc2)N2C(=O)CC(C)C2=O)c(Cl)c1
InChi:	InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1
Definition date:	2023-10-13
Last modified:	2024-09-27
Release date:	2024-06-26
Identifier:	N-[(2,4-dichlorophenyl)methyl]-4-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzamide

ZX1

ZX1
Name:	(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE
Formula:	C12 H22 N4 O6 S
SMILES:	O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
InChi:	InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9-,10+/m1/s1
Definition date:	2009-12-03
Last modified:	2024-09-27
Identifier:	(3R)-1-[(4R)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline

WV0

WV0
Name:	5-fluoro-1,3-dihydro-2H-indol-2-one
Formula:	C8 H6 F N O
SMILES:	Fc1cc2CC(=O)Nc2cc1
InChi:	InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2022-10-20
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	5-fluoro-1,3-dihydro-2H-indol-2-one

US9

US9
Name:	(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
Formula:	C15 H19 F3 N2 O4 S
SMILES:	O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2023-05-10
Identifier:	(3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

USA

USA
Name:	(E)-1-(1H-imidazol-2-yl)methanimine
Formula:	C4 H5 N3
SMILES:	n1ccnc1/C=N
InChi:	InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+
Definition date:	2020-05-28
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(E)-1-(1H-imidazol-2-yl)methanimine

SD4

SD4
Name:	N-hydroxy-L-asparagine
Formula:	C4 H8 N2 O4
SMILES:	N[CH](CC(=O)NO)C(O)=O
InChi:	InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2012-03-01
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoic acid

SSH

SSH
Name:	3-DEOXY-D-ARABINO-HEXONIC ACID
Formula:	C6 H12 O6
SMILES:	O=C(O)C(O)CC(O)C(O)CO
InChi:	InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1
Synonyms:	D-2-KETO-3-DEOXYGLUCONATE
Definition date:	2004-07-17
Last modified:	2024-09-27
Identifier:	3-deoxy-D-arabino-hexonic acid

UEP

UEP
Name:	6-ethyluridine 5'-phosphate
Formula:	C11 H17 N2 O9 P
SMILES:	O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
Synonyms:	6-ethyl-UMP
Definition date:	2008-10-23
Last modified:	2024-09-27
Identifier:	6-ethyluridine 5'-(dihydrogen phosphate)

P6S

P6S
Name:	benzyl hydrogen carbonate
Formula:	C8 H8 O3
SMILES:	C(OC(=O)O)c1ccccc1
InChi:	InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:	2019-08-02
Last modified:	2024-09-27
Release date:	2020-02-05
Identifier:	benzyl hydrogen carbonate

PYA

PYA
Name:	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE
Formula:	C15 H13 N3 O2
SMILES:	O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3
InChi:	InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(1,10-phenanthrolin-2-yl)-L-alanine

T8S

T8S
Name:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
Formula:	C12 H22 N2 O2
SMILES:	N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
InChi:	InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide

SD6

SD6
Name:	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C25 H44 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24+/m0/s1
Definition date:	2022-06-29
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

M9W

M9W
Name:	Enmetazobactam derived trans-enamine adduct
Formula:	C11 H17 N4 O6 S
SMILES:	C[n+]1ccn(C[C](C)([CH](NC=CC(O)=O)C(O)=O)[S](O)=O)n1
InChi:	InChI=1S/C11H16N4O6S/c1-11(22(20)21,7-15-6-5-14(2)13-15)9(10(18)19)12-4-3-8(16)17/h3-6,9,12H,7H2,1-2H3,(H2-,16,17,18,19,20,21)/p+1/b4-3+/t9-,11-/m0/s1
Synonyms:	(2S,3S)-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-butanoic acid
Definition date:	2019-10-10
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	(2~{S},3~{S})-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]-3-sulfino-butanoic acid

USC

USC
Name:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C9 H9 N O6 S
SMILES:	O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:	InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
Definition date:	2011-12-08
Last modified:	2024-09-27
Release date:	2013-01-11
Identifier:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

VLL

VLL
Name:	(2S)-2,3-DIAMINOBUTANOIC ACID
Formula:	C4 H10 N2 O2
SMILES:	O=C(O)C(N)C(N)C
InChi:	InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1
Synonyms:	L-THREO-2,3-DIAMINO-BUTYRIC ACID
Definition date:	2004-07-16
Last modified:	2024-09-27
Identifier:	(2S,3R)-2,3-diaminobutanoic acid

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:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

USD

USD
Name:	(E)-1-(pyrimidin-2-yl)methanimine
Formula:	C5 H5 N3
SMILES:	n1cccnc1/C=N
InChi:	InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+
Definition date:	2020-05-28
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	(E)-1-(pyrimidin-2-yl)methanimine

KNU

KNU
Name:	N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
Formula:	C10 H11 Cl F N O
SMILES:	Fc1cc(cc(Cl)c1)C(C)NC(C)=O
InChi:	InChI=1S/C10H11ClFNO/c1-6(13-7(2)14)8-3-9(11)5-10(12)4-8/h3-6H,1-2H3,(H,13,14)/t6-/m0/s1
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide

M9X

M9X
Name:	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C27 H39 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4)C1=O
InChi:	InChI=1S/C27H39N5O7/c1-27(2,3)39-26(38)31-18-5-4-12-32(25(18)37)20(13-15-6-7-15)23(35)30-19(14-16-10-11-28-22(16)34)21(33)24(36)29-17-8-9-17/h4-5,12,15-17,19-21,33H,6-11,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t16-,19-,20-,21+/m0/s1
Synonyms:	tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

<132 133 134 135 136 137 138139140 141 142 143 144 145 146 147 >

243531

PDB entries from 2025-10-22

PDB statistics

PDBj update info

Contact PDBj

numon