Chemie Search results for query - 日本蛋白质结构数据库

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: 35418 results BIRD

AR7

AR7
Name:	amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
Formula:	C6 H17 N4 O2
SMILES:	OC(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1
Definition date:	2010-09-24
Last modified:	2023-11-03
Identifier:	amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium

T2X

T2X
Name:	(2R)-2-hydroxy-5-methylhexanoic acid
Formula:	C7 H14 O3
SMILES:	CC(C)CCC(O)C(O)=O
InChi:	InChI=1S/C7H14O3/c1-5(2)3-4-6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
Definition date:	2022-07-15
Last modified:	2023-11-03
Release date:	2023-05-24
Identifier:	(2R)-2-hydroxy-5-methylhexanoic acid

T3
Name:	3,5,3'TRIIODOTHYRONINE
Formula:	C15 H12 I3 N O4
SMILES:	O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2
InChi:	InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Synonyms:	T3
Definition date:	1999-07-12
Last modified:	2023-11-03
Identifier:	O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine

ASL

ASL
Name:	ASPARTIC ACID-4-CARBOXYETHYL ESTER
Formula:	C7 H11 N O6
SMILES:	O=C(OC(C(=O)O)C)CC(C(=O)O)N
InChi:	InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)
Definition date:	1999-09-09
Last modified:	2023-11-03
Identifier:	2-amino-4-(1-carboxyethoxy)-4-oxobutanoic acid (non-preferred name)

T44

T44
Name:	3,5,3',5'-TETRAIODO-L-THYRONINE
Formula:	C15 H11 I4 N O4
SMILES:	O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
InChi:	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine

T69

T69
Name:	(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
Formula:	C19 H35 N O4 S
SMILES:	CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O
InChi:	InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1
Definition date:	2022-07-18
Last modified:	2023-11-03
Release date:	2023-05-24
Identifier:	(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid

T79

T79
Name:	(2S)-2-azanylhex-4-ynoic acid
Formula:	C6 H9 N O2
SMILES:	CC#CC[CH](N)C(O)=O
InChi:	InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)/t5-/m0/s1
Synonyms:	(S)-2-Aminohex-4-ynoic acid
Definition date:	2022-12-21
Last modified:	2023-11-03
Release date:	2023-03-15
Identifier:	(2~{S})-2-azanylhex-4-ynoic acid

T7C

T7C
Name:	3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
Formula:	C7 H14 N2 O3 S
SMILES:	O=C(N)CNCCSCCC(=O)O
InChi:	InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
Definition date:	2022-07-19
Last modified:	2023-11-03
Release date:	2023-05-24
Identifier:	3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid

T7H

T7H
Name:	3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid
Formula:	C7 H13 N O4 S
SMILES:	OC(=O)CNCCSCCC(=O)O
InChi:	InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
Definition date:	2022-07-19
Last modified:	2023-11-03
Release date:	2023-05-24
Identifier:	3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid

T8L

T8L
Name:	Thio-phosohothreonine
Formula:	C4 H10 N O5 P S
SMILES:	C[CH](O[P](O)(S)=O)[CH](N)C(O)=O
InChi:	InChI=1S/C4H10NO5PS/c1-2(3(5)4(6)7)10-11(8,9)12/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,12)/t2-,3+/m1/s1
Definition date:	2017-12-22
Last modified:	2023-11-03
Release date:	2018-01-03
Identifier:	(2~{S},3~{R})-2-azanyl-3-[oxidanyl(sulfanyl)phosphoryl]oxy-butanoic acid

T9E

T9E
Name:	Selenothreonine
Formula:	C4 H9 N O2 Se
SMILES:	C[CH]([SeH])[CH](N)C(O)=O
InChi:	InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1
Definition date:	2018-02-17
Last modified:	2023-11-03
Release date:	2019-02-20
Identifier:	(2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid

AZ1

AZ1
Name:	AZELAIC ACID
Formula:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Definition date:	2004-07-07
Last modified:	2023-11-03
Identifier:	nonanedioic acid

TCQ

TCQ
Name:	(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
Formula:	C18 H19 N2 O4
SMILES:	O=C(O)C(N)CC=3C(=O)C=C(O)C(=[NH+]C2CC2c1ccccc1)C=3
InChi:	InChI=1S/C18H18N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,7,9,12-14,22H,6,8,19H2,(H,23,24)/p+1/b20-15+/t12-,13+,14+/m1/s1
Definition date:	2004-07-27
Last modified:	2023-11-03
Identifier:	(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

TDF

TDF
Name:	4-(trifluoromethyl)-D-phenylalanine
Formula:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:	2011-09-15
Last modified:	2023-11-03
Identifier:	4-(trifluoromethyl)-D-phenylalanine

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

B2H

B2H
Name:	Chromophore (Thr, Trp, Gly)
Formula:	C17 H20 N4 O4
SMILES:	C[CH](O)[CH](N)c1nc(Cc2c[nH]c3ccccc23)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H20N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-5,7,9,15,19,22,25H,6,8,18H2,1H3,(H,23,24)/t9-,15+/m1/s1
Definition date:	2017-09-06
Last modified:	2023-11-03
Release date:	2017-11-29
Identifier:	2-[2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

B2N

B2N
Name:	(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CC(CN)C(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-2-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2016-01-22
Last modified:	2023-11-03
Release date:	2016-02-24
Identifier:	(2S)-4-amino-2-(aminomethyl)-4-oxobutanoic acid

TEE

TEE
Name:	2-AMINO-ETHENETHIOL
Formula:	C2 H5 N S
SMILES:	S/C=CN
InChi:	InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-
Synonyms:	2-THIOETHENAMINE
Definition date:	2002-10-04
Last modified:	2023-11-03
Identifier:	(Z)-2-aminoethenethiol

B3Y

B3Y
Name:	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID
Formula:	C10 H13 N O3
SMILES:	O=C(O)CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
Definition date:	2007-02-28
Last modified:	2023-11-03
Identifier:	(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid

SMF

SMF
Name:	4-SULFOMETHYL-L-PHENYLALANINE
Formula:	C10 H13 N O5 S
SMILES:	O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1
Definition date:	2003-03-18
Last modified:	2023-11-03
Identifier:	4-(sulfomethyl)-L-phenylalanine

SOQ

SOQ
Name:	N-methyl-L-aspartic acid
Formula:	C5 H9 N O4
SMILES:	CN[CH](CC(O)=O)C(O)=O
InChi:	InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2020-11-26
Last modified:	2023-11-03
Release date:	2021-12-01
Identifier:	(2~{S})-2-(methylamino)butanedioic acid

SOW

SOW
Name:	[(2-amino-2-oxoethyl)amino]acetic acid
Formula:	C4 H8 N2 O3
SMILES:	NC(=O)CNCC(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-3(7)1-6-2-4(8)9/h6H,1-2H2,(H2,5,7)(H,8,9)
Definition date:	2022-07-07
Last modified:	2023-11-03
Release date:	2022-12-07
Identifier:	[(2-amino-2-oxoethyl)amino]acetic acid

SQ6

SQ6
Name:	2,2'-azanediyldiacetic acid
Formula:	C4 H7 N O4
SMILES:	O=C(O)CNCC(=O)O
InChi:	InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
Definition date:	2022-07-07
Last modified:	2023-11-03
Release date:	2022-12-07
Identifier:	2,2'-azanediyldiacetic acid

BAL

BAL
Name:	BETA-ALANINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)CCN
InChi:	InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	beta-alanine

<119 120 121 122 123 124 125126127 128 129 130 131 132 133 134 >

224201

数据于2024-08-28公开中

PDB statistics

PDBj update info

Contact PDBj

numon