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: 43892 results BIRD

TWQ

TWQ
Name:	3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde
Formula:	C13 H16 N2 O4
SMILES:	CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O
InChi:	InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1
Definition date:	2021-01-14
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde

ZAL

ZAL
Name:	3-cyclohexyl-D-alanine
Formula:	C9 H17 N O2
SMILES:	O=C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1
Definition date:	2009-01-26
Last modified:	2024-09-27
Identifier:	3-cyclohexyl-D-alanine

WRP

WRP
Name:	(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
Formula:	C16 H22 N2 O4
SMILES:	O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C
InChi:	InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1
Definition date:	2013-06-20
Last modified:	2024-09-27
Release date:	2013-09-18
Identifier:	(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan

RH6

RH6
Name:	(2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form
Formula:	C16 H19 N O2
SMILES:	CCN(CC)c1ccc2C=C(C=CC)C(=O)Oc2c1
InChi:	InChI=1S/C16H19NO2/c1-4-7-13-10-12-8-9-14(17(5-2)6-3)11-15(12)19-16(13)18/h4,7-11H,5-6H2,1-3H3/b7-4+
Definition date:	2022-06-23
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	7-(diethylamino)-3-[(1E)-prop-1-en-1-yl]-2H-1-benzopyran-2-one

ZT1

ZT1
Name:	N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine
Formula:	C14 H26 N4 O2
SMILES:	Cn1cncc1CN(CCCCC(N)C(=O)O)C(C)C
InChi:	InChI=1S/C14H26N4O2/c1-11(2)18(9-12-8-16-10-17(12)3)7-5-4-6-13(15)14(19)20/h8,10-11,13H,4-7,9,15H2,1-3H3,(H,19,20)/t13-/m0/s1
Definition date:	2021-05-28
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine

SA1

SA1
Name:	(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE
Formula:	C15 H21 N O4
SMILES:	O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3
InChi:	InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Synonyms:	Salinosporamide A, bound form
Definition date:	2005-12-29
Last modified:	2024-09-27
Identifier:	(3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde

VX
Name:	O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Formula:	C3 H9 O3 P
SMILES:	O=P(O)(OCC)C
InChi:	InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	ethyl hydrogen (S)-methylphosphonate

QP1

QP1
Name:	N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
Formula:	C27 H28 F N5 O3 S
SMILES:	c1c(ccc(c1)F)c4c(c3cc(Nc2cc(ccc2OC)NC(CC)=O)ncc3)nc(SCCOC)n4
InChi:	InChI=1S/C27H28FN5O3S/c1-4-24(34)30-20-9-10-22(36-3)21(16-20)31-23-15-18(11-12-29-23)26-25(17-5-7-19(28)8-6-17)32-27(33-26)37-14-13-35-2/h5-12,15-16H,4,13-14H2,1-3H3,(H,29,31)(H,30,34)(H,32,33)
Definition date:	2019-12-05
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide

SA2

SA2
Name:	(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE
Formula:	C13 H19 N O9 S
SMILES:	O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O
InChi:	InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1
Synonyms:	4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID
Definition date:	2006-06-09
Last modified:	2024-09-27
Identifier:	(3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine

RVJ

RVJ
Name:	3-triazan-1-yl-L-alanine
Formula:	C3 H10 N4 O2
SMILES:	NC(CNNN)C(=O)O
InChi:	InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
Definition date:	2020-02-26
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	3-triazan-1-yl-L-alanine

T3G

T3G
Name:	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C12 H14 F2 N2 O3 S
SMILES:	N2(CCN(S(c1c(cccc1F)F)(=O)=O)CC2)C(=O)C
InChi:	InChI=1S/C12H14F2N2O3S/c1-9(17)15-5-7-16(8-6-15)20(18,19)12-10(13)3-2-4-11(12)14/h2-4H,5-8H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

ZAP

ZAP
Name:	[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
Formula:	C16 H18 N3 O5 P
SMILES:	O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1
Synonyms:	Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid

V32

V32
Name:	4-morpholin-4-ylcarbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:	InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-morpholin-4-ylcarbonylbenzaldehyde

VIG

VIG
Name:	4-AMINO HEXANOIC ACID
Formula:	C6 H13 N O2
SMILES:	O=C(O)CCC(N)CC
InChi:	InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1
Definition date:	2003-06-03
Last modified:	2024-09-27
Identifier:	(4R)-4-aminohexanoic acid

SA6

SA6
Name:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
Formula:	C15 H23 N O4
SMILES:	O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2
InChi:	InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
Definition date:	2010-04-20
Last modified:	2024-09-27
Identifier:	(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde

SPD

SPD
Name:	SPERMIDINE
Formula:	C7 H19 N3
SMILES:	NCCCNCCCCN
InChi:	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Synonyms:	N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(3-aminopropyl)butane-1,4-diamine

V34

V34
Name:	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula:	C27 H36 N4 O6
SMILES:	CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3
InChi:	InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1
Definition date:	2020-06-19
Last modified:	2024-09-27
Release date:	2020-07-08
Identifier:	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

XL3

XL3
Name:	propane-1-thiol
Formula:	C3 H8 S
SMILES:	SCCC
InChi:	InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
Definition date:	2007-12-20
Last modified:	2024-09-27
Identifier:	propane-1-thiol

T3J

T3J
Name:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one
Formula:	C12 H14 F N O2
SMILES:	c1(ccc(F)cc1)C2CN(C(C)=O)CCO2
InChi:	InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one

ZT6

ZT6
Name:	(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
Formula:	C18 H30 Cl N O4 Si
SMILES:	Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:	InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1
Definition date:	2023-03-30
Last modified:	2024-09-27
Release date:	2023-06-21
Identifier:	(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine

YDB

YDB
Name:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C9 H12 B N7 O5 S2
SMILES:	O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:	InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
Definition date:	2023-01-25
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid

UPD

UPD
Name:	1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
Formula:	C14 H19 N3 O3
SMILES:	N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O
InChi:	InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19)
Definition date:	2020-05-26
Last modified:	2024-09-27
Release date:	2020-06-10
Identifier:	1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide

V35

V35
Name:	D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Formula:	C10 H14 B Cl N O4
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
InChi:	InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1
Synonyms:	D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)

WCJ

WCJ
Name:	N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
Formula:	C28 H26 F N7 O2
SMILES:	CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1
InChi:	InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33)
Definition date:	2023-05-11
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide

XL5

XL5
Name:	N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
Formula:	C22 H21 Cl2 F N4 O4
SMILES:	c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC
InChi:	InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29)
Definition date:	2017-11-05
Last modified:	2024-09-27
Release date:	2019-07-10
Identifier:	N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide

<105 106 107 108 109 110 111112113 114 115 116 117 118 119 120 >

238895

PDB entries from 2025-07-16

PDB statistics

PDBj update info

Contact PDBj

numon