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

O3O

O3O
Name:	2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
Formula:	C21 H30 Cl2 N4 O2
SMILES:	ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28)
Definition date:	2022-08-26
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide

SZF

SZF
Name:	1-methoxy-N-methyl-L-tryptophan
Formula:	C13 H16 N2 O3
SMILES:	O=C(O)C(NC)Cc1cn(OC)c2ccccc21
InChi:	InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
Definition date:	2022-07-13
Last modified:	2024-09-27
Release date:	2023-05-24
Identifier:	1-methoxy-N-methyl-L-tryptophan

MH6

MH6
Name:	3-hydroxy-2-iminopropanoic acid
Formula:	C3 H5 N O3
SMILES:	O=C(O)C(=[N@H])CO
InChi:	InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+
Definition date:	2008-03-11
Last modified:	2024-09-27
Identifier:	(2E)-3-hydroxy-2-iminopropanoic acid

PR6

PR6
Name:	3-chloro-3-oxopropanoic acid
Formula:	C3 H3 Cl O3
SMILES:	ClC(=O)CC(=O)O
InChi:	InChI=1S/C3H3ClO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
Definition date:	2010-05-13
Last modified:	2024-09-27
Identifier:	3-chloro-3-oxopropanoic acid

Y8V

Y8V
Name:	(1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H39 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C24H39N3O8S/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/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1
Definition date:	2021-02-10
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

4EY

4EY
Name:	3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium
Formula:	C12 H15 N O8 P S2
SMILES:	O=C(S)c1cc(c[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O)C=S
InChi:	InChI=1S/C12H14NO8PS2/c14-9-8(4-20-22(17,18)19)21-11(10(9)15)13-2-6(5-23)1-7(3-13)12(16)24/h1-3,5,8-11,14-15H,4H2,(H2-,16,17,18,19,24)/p+1/t8-,9-,10-,11-/m1/s1
Synonyms:	Dithiodinicotinic acid mononucleotide
Definition date:	2015-03-13
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium

NOP

NOP
Name:	PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
Formula:	C8 H10 N O7 P
SMILES:	[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
InChi:	InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-formyl-5-hydroxy-6-methyl-1-oxidopyridin-3-yl)methyl dihydrogen phosphate

KGC

KGC
Name:	N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-2-YL]-L-LYSINE
Formula:	C11 H18 N2 O6
SMILES:	O=C(O)C1(OC(=O)CC1)NCCCCC(C(=O)O)N
InChi:	InChI=1S/C11H18N2O6/c12-7(9(15)16)3-1-2-6-13-11(10(17)18)5-4-8(14)19-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11+/m0/s1
Definition date:	2007-01-15
Last modified:	2024-09-27
Identifier:	N~6~-[(2R)-2-carboxy-5-oxotetrahydrofuran-2-yl]-L-lysine

VSP

VSP
Name:	N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide
Formula:	C17 H22 N6 O2 S
SMILES:	O=S(=O)(Nc1cccc(c1)Cc3nn(c2ncnc(c23)N)C(C)C)CC
InChi:	InChI=1S/C17H22N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h5-8,10-11,22H,4,9H2,1-3H3,(H2,18,19,20)
Definition date:	2011-07-18
Last modified:	2024-09-27
Identifier:	N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide

OJ6

OJ6
Name:	(1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol
Formula:	C6 H12 O4
SMILES:	OC1CCC(O)C(O)C1O
InChi:	InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1
Definition date:	2022-09-08
Last modified:	2024-09-27
Release date:	2024-03-13
Identifier:	(1R,2S,3S,4S)-cyclohexane-1,2,3,4-tetrol

PR7

PR7
Name:	1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
Formula:	C8 H13 N O5
SMILES:	O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:	InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
Definition date:	2010-06-07
Last modified:	2024-09-27
Identifier:	1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline

UKY

UKY
Name:	3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
Formula:	C5 H9 N4 O5 P
SMILES:	C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O
InChi:	InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
Definition date:	2020-05-20
Last modified:	2024-09-27
Release date:	2021-02-03
Identifier:	3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine

NOQ

NOQ
Name:	(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
Formula:	C17 H26 N2 O4 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC2
InChi:	InChI=1S/C17H26N2O4S/c1-23-14-6-8-15(9-7-14)24(21,22)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1
Definition date:	2005-12-22
Last modified:	2024-09-27
Identifier:	(1R,2R)-N-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide

Y8Y

Y8Y
Name:	(1R,2S)-2-((S)-2-(((((1R,3r,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(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
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:	2021-02-10
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

MH8

MH8
Name:	(2S)-2-amino-2-methylhept-6-enoic acid
Formula:	C8 H15 N O2
SMILES:	O=C(O)C(N)(CCC/C=C)C
InChi:	InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1
Definition date:	2015-02-04
Last modified:	2024-09-27
Release date:	2015-09-09
Identifier:	(2S)-2-amino-2-methylhept-6-enoic acid

SZI

SZI
Name:	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C17 H14 B F6 N2 O3 S
SMILES:	O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2
Definition date:	2022-12-20
Last modified:	2024-09-27
Release date:	2024-07-10
Identifier:	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron

X3H

X3H
Name:	PIRONETIN
Formula:	C19 H34 O4
SMILES:	CC[CH]1CCC(=O)O[CH]1C[CH](O)[CH](C)[CH](OC)[CH](C)CC=CC
InChi:	InChI=1S/C19H34O4/c1-6-8-9-13(3)19(22-5)14(4)16(20)12-17-15(7-2)10-11-18(21)23-17/h6,8,13-17,19-20H,7,9-12H2,1-5H3/b8-6+/t13-,14-,15+,16+,17+,19+/m0/s1
Definition date:	2015-11-17
Last modified:	2024-09-27
Release date:	2016-05-18
Identifier:	(5R,6R)-5-ethyl-6-[(E,2R,3S,4R,5S)-4-methoxy-3,5-dimethyl-2-oxidanyl-non-7-enyl]oxan-2-one

O3S

O3S
Name:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide
Formula:	C17 H24 N4 O
SMILES:	CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN
InChi:	InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)
Definition date:	2019-06-06
Last modified:	2024-09-27
Release date:	2019-06-26
Identifier:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide

PR9

PR9
Name:	D-PROLINAMIDE
Formula:	C5 H10 N2 O
SMILES:	O=C(N)C1NCCC1
InChi:	InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
Definition date:	2009-09-02
Last modified:	2024-09-27
Identifier:	D-prolinamide

OJ8

OJ8
Name:	(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
Formula:	C25 H22 N2 O3
SMILES:	n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc2ccccc2)cc3CC4)cccc5
InChi:	InChI=1S/C25H22N2O3/c28-24(25-27-16-23(30-25)22-8-4-5-13-26-22)19-10-9-18-15-21(12-11-17(18)14-19)29-20-6-2-1-3-7-20/h1-8,11-13,15-16,19,24,28H,9-10,14H2/t19-,24-/m0/s1
Definition date:	2010-08-31
Last modified:	2024-09-27
Identifier:	(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl][5-(pyridin-2-yl)-1,3-oxazol-2-yl]methanol

SLH

SLH
Name:	(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
Formula:	C25 H35 N5 O2
SMILES:	C3C1C(CCCC1)CC(CNC(C=O)Cc2ncnc2)N3C(=O)CCNc4ccccc4
InChi:	InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23-,24+/m0/s1
Definition date:	2015-07-03
Last modified:	2024-09-27
Release date:	2016-06-22
Identifier:	(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal

NOR

NOR
Name:	CYCLOHEXYL-NORSTATINE
Formula:	C13 H25 N O3
SMILES:	O=C(OC(C)C)C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate

MH9

MH9
Name:	(2E,4E)-DODECA-2,4-DIENOIC ACID
Formula:	C12 H20 O2
SMILES:	O=C(O)C=CC=CCCCCCCC
InChi:	InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+
Definition date:	2011-03-28
Last modified:	2024-09-27
Release date:	2012-08-24
Identifier:	(2E,4E)-dodeca-2,4-dienoic acid

X3I

X3I
Name:	(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)
Formula:	C28 H43 F O2
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCC#C
InChi:	InChI=1S/C28H43FO2/c1-5-16-31-22-12-14-27(3)20(17-22)7-9-23-25-11-10-24(19(2)6-8-21(30)18-29)28(25,4)15-13-26(23)27/h1,19-20,22-26H,6-18H2,2-4H3/t19-,20-,22-,23+,24-,25+,26+,27+,28-/m1/s1
Definition date:	2022-10-26
Last modified:	2024-09-27
Release date:	2023-11-15
Identifier:	(5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)

O3T

O3T
Name:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C21 H26 Cl2 F2 N2 O3
SMILES:	FC1(F)CCC(CC1)(Oc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl
InChi:	InChI=1S/C21H26Cl2F2N2O3/c22-13-18(28)26-14-15-5-11-27(12-6-15)19(29)20(7-9-21(24,25)10-8-20)30-17-3-1-16(23)2-4-17/h1-4,15H,5-14H2,(H,26,28)
Definition date:	2022-08-26
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide

<103 104 105 106 107 108 109110111 112 113 114 115 116 117 118 >

243531

PDB entries from 2025-10-22

PDB statistics

PDBj update info

Contact PDBj

numon