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: 35755 results BIRD

LRN

LRN
Name:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
Formula:	C20 H36 N2 O2
SMILES:	O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1
InChi:	InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one

LSA

LSA
Name:	1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Formula:	C7 H5 N O3 S
SMILES:	O=C2c1ccccc1S(=O)(=O)N2
InChi:	InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
Synonyms:	SACCHARIN
Definition date:	2007-06-05
Last modified:	2024-09-27
Identifier:	1,2-benzisothiazol-3(2H)-one 1,1-dioxide

LTJ

LTJ
Name:	4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Formula:	C20 H25 F N4 O2
SMILES:	C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)NC(C=[C@H]C)=O
InChi:	InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1
Definition date:	2019-03-13
Last modified:	2024-09-27
Release date:	2019-04-03
Identifier:	4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide

LTN

LTN
Name:	L-TRYPTOPHANAMIDE
Formula:	C11 H13 N3 O
SMILES:	O=C(N)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
Definition date:	2002-08-08
Last modified:	2024-09-27
Identifier:	L-tryptophanamide

LTU

LTU
Name:	2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid
Formula:	C16 H20 N2 O4
SMILES:	CC(C)([CH]1CO1)n2cc([CH](O)[CH](N)C(O)=O)c3ccccc23
InChi:	InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13+,14-/m1/s1
Synonyms:	(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
Definition date:	2022-07-12
Last modified:	2024-09-27
Release date:	2023-03-29
Identifier:	(2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid

LV0

LV0
Name:	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Formula:	C21 H21 N3 O3 S
SMILES:	O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3
InChi:	InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1
Definition date:	2022-12-08
Last modified:	2024-09-27
Release date:	2023-03-29
Identifier:	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide

LV8

LV8
Name:	(2~{S})-3-acetamido-2-azanyl-propanoic acid
Formula:	C5 H10 N2 O3
SMILES:	CC(=O)NC[CH](N)C(O)=O
InChi:	InChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Definition date:	2019-09-13
Last modified:	2024-09-27
Release date:	2019-10-30
Identifier:	(2~{S})-3-acetamido-2-azanyl-propanoic acid

LVX

LVX
Name:	(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide
Formula:	C25 H32 F2 N4 O5 S
SMILES:	COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[CH](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3
InChi:	InChI=1S/C25H32F2N4O5S/c1-36-15-19(31-22(33)17-8-5-9-25(26,27)13-17)23(34)30-18(12-16-6-3-2-4-7-16)21(32)24(35)29-14-20-28-10-11-37-20/h2-4,6-7,10-11,17-19,21,32H,5,8-9,12-15H2,1H3,(H,29,35)(H,30,34)(H,31,33)/t17-,18-,19-,21+/m1/s1
Definition date:	2022-12-08
Last modified:	2024-09-27
Release date:	2023-03-29
Identifier:	(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide

LW1

LW1
Name:	thiophene-2-carbaldehyde
Formula:	C5 H4 O S
SMILES:	C(c1cccs1)=O
InChi:	InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
Definition date:	2018-04-20
Last modified:	2024-09-27
Release date:	2019-06-12
Identifier:	thiophene-2-carbaldehyde

LW6

LW6
Name:	1H-indole-4-carbaldehyde
Formula:	C9 H7 N O
SMILES:	O=Cc1cccc2[NH]ccc12
InChi:	InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1H-indole-4-carbaldehyde

LW8

LW8
Name:	trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Formula:	C9 H16 N3 O2 S
SMILES:	C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O
InChi:	InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:	2019-08-30
Last modified:	2024-09-27
Release date:	2020-08-26
Identifier:	trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium

LWI

LWI
Name:	2-(aminomethyl)-L-phenylalanine
Formula:	C10 H14 N2 O2
SMILES:	NC(Cc1ccccc1CN)C(O)=O
InChi:	InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-L-phenylalanine

LWZ

LWZ
Name:	3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
Formula:	C6 H10 N4 O S2
SMILES:	SC(S)CC(=O)NCc1c[nH]nn1
InChi:	InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)
Definition date:	2019-09-25
Last modified:	2024-09-27
Release date:	2020-08-05
Identifier:	3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide

LX5

LX5
Name:	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
Formula:	C6 H12 O7 S
SMILES:	OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O
InChi:	InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1
Definition date:	2019-09-26
Last modified:	2024-09-27
Release date:	2020-02-26
Identifier:	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate

LXB

LXB
Name:	2-acetamido-2-deoxy-beta-D-gulopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7+,8-/m1/s1
Synonyms:	N-acetyl-beta-D-gulosamine
Definition date:	2008-07-23
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-beta-D-gulopyranose

LXD

LXD
Name:	(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
Formula:	C30 H37 N9 O2 S
SMILES:	C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O)C=C
InChi:	InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1
Definition date:	2022-07-18
Last modified:	2024-09-27
Release date:	2022-11-09
Identifier:	(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile

LXE

LXE
Name:	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
Formula:	C6 H14 N O3
SMILES:	[NH3+][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/p+1/t3-,4+,5+,6+/m1/s1
Definition date:	2019-09-27
Last modified:	2024-09-27
Release date:	2020-02-26
Identifier:	[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium

LXF

LXF
Name:	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide
Formula:	C17 H17 N3 O3 S2
SMILES:	O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O
InChi:	InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21)
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide

LXO

LXO
Name:	4-(pyridin-4-ylamino)butanoic acid
Formula:	C9 H12 N2 O2
SMILES:	OC(=O)CCCNc1ccncc1
InChi:	InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)
Definition date:	2022-12-16
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	4-(pyridin-4-ylamino)butanoic acid

LXV

LXV
Name:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
Formula:	C12 H15 Br2 N3 O2 S
SMILES:	Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C
InChi:	InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1
Definition date:	2010-11-02
Last modified:	2024-09-27
Identifier:	2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide

LXZ

LXZ
Name:	2-acetamido-2-deoxy-alpha-D-idopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m1/s1
Synonyms:	N-acetyl-alpha-D-idosamine
Definition date:	2008-07-09
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-idopyranose

LYH

LYH
Name:	3,4 ENE-LYSINE
Formula:	C6 H12 N2 O2
SMILES:	O=C(O)C(/C=C/CCN)N
InChi:	InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
Synonyms:	(2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID
Definition date:	2011-03-14
Last modified:	2024-09-27
Release date:	2012-08-24
Identifier:	(2S,3E)-2,6-diaminohex-3-enoic acid

LYN

LYN
Name:	2,6-DIAMINO-HEXANOIC ACID AMIDE
Formula:	C6 H16 N3 O
SMILES:	O=C(N)C(N)CCCC[NH3+]
InChi:	InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1
Definition date:	2000-11-10
Last modified:	2024-09-27
Identifier:	6-ammonio-L-norleucinamide

LYR

LYR
Name:	N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE
Formula:	C26 H42 N2 O2
SMILES:	O=C(O)C(N)CCCCNC/C=C(/C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C
InChi:	InChI=1S/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1
Definition date:	2005-03-17
Last modified:	2024-09-27
Identifier:	N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine

LYV

LYV
Name:	O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
Formula:	C9 H19 N4 O8 P
SMILES:	O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O
InChi:	InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1
Definition date:	2013-12-06
Last modified:	2024-09-27
Release date:	2014-12-03
Identifier:	O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide

<80 81 82 83 84 85 868788 89 90 91 92 93 94 95 >

227111

PDB entries from 2024-11-06

PDB statistics

PDBj update info

Contact PDBj

numon