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PDB ウェブページステータス検索化合物検索: 7222 件 BIRD

VYN

VYN
表記:	8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
組成式:	C26 H29 Cl N6 O3
SMILES:	Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O
InChi:	InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32)
定義日:	2023-09-20
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

ZIQ

ZIQ
表記:	alpha-methyl-L-tryptophan
組成式:	C12 H14 N2 O2
SMILES:	NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:	InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
定義日:	2018-06-13
最終更新日:	2023-11-03
公開日:	2020-01-01
識別子（ID）:	alpha-methyl-L-tryptophan

XEP

XEP
表記:	2-nitrosopropane
組成式:	C3 H7 N O
SMILES:	CC(N=O)C
InChi:	InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3
定義日:	2020-12-14
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-nitrosopropane

HJY

HJY
表記:	4-iodo-N-methyl-D-phenylalanine
組成式:	C10 H12 I N O2
SMILES:	CNC(Cc1ccc(I)cc1)C(O)=O
InChi:	InChI=1S/C10H12INO2/c1-12-9(10(13)14)6-7-2-4-8(11)5-3-7/h2-5,9,12H,6H2,1H3,(H,13,14)/t9-/m1/s1
定義日:	2018-07-09
最終更新日:	2023-11-03
公開日:	2018-10-17
識別子（ID）:	4-iodo-N-methyl-D-phenylalanine

V44

V44
表記:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine
組成式:	C13 H19 N5 O2 S
SMILES:	C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O
InChi:	InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1
定義日:	2020-06-23
最終更新日:	2023-11-03
公開日:	2021-06-30
識別子（ID）:	S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine

UQ4

UQ4
表記:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
組成式:	C9 H8 N4 O5
SMILES:	C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O
InChi:	InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)
定義日:	2020-05-27
最終更新日:	2023-11-03
公開日:	2020-06-03
識別子（ID）:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine

XYC

XYC
表記:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
組成式:	C8 H15 N O2
SMILES:	N[CH](CC1CCCC1)C(O)=O
InChi:	InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
定義日:	2016-06-10
最終更新日:	2023-11-03
公開日:	2017-05-31
識別子（ID）:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

V5F

V5F
表記:	(2R)-2-(2-azanylphenoxy)propanoic acid
組成式:	C9 H11 N O3
SMILES:	C[CH](Oc1ccccc1N)C(O)=O
InChi:	InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
定義日:	2023-02-21
最終更新日:	2023-11-03
公開日:	2023-07-19
識別子（ID）:	(2~{R})-2-(2-azanylphenoxy)propanoic acid

XYX

XYX
表記:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
組成式:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
定義日:	2023-06-09
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

V5N

V5N
表記:	(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
組成式:	C6 H9 N3 O3
SMILES:	N[CH]([CH](O)c1[nH]cnc1)C(O)=O
InChi:	InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1
定義日:	2021-04-19
最終更新日:	2023-11-03
公開日:	2021-06-02
識別子（ID）:	(2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid

XZC

XZC
表記:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
組成式:	C23 H23 B N O5
SMILES:	COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
定義日:	2023-06-09
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide

V61

V61
表記:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
組成式:	C9 H6 F4 I N O2
SMILES:	c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:	InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
定義日:	2020-07-06
最終更新日:	2023-11-03
公開日:	2021-07-07
識別子（ID）:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine

SCH

SCH
表記:	S-METHYL-THIO-CYSTEINE
組成式:	C4 H9 N O2 S2
SMILES:	O=C(O)C(N)CSSC
InChi:	InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	3-(methyldisulfanyl)-L-alanine

SCS

SCS
表記:	3-(ethyldisulfanyl)-L-alanine
組成式:	C5 H11 N O2 S2
SMILES:	O=C(O)C(N)CSSCC
InChi:	InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	3-(ethyldisulfanyl)-L-alanine

SCY

SCY
表記:	S-ACETYL-CYSTEINE
組成式:	C5 H9 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)C
InChi:	InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	S-acetyl-L-cysteine

SE7

SE7
表記:	2-AMINO-3-SELENINO-PROPIONIC ACID
組成式:	C3 H7 N O4 Se
SMILES:	O=C(O)C(N)C[Se](=O)O
InChi:	InChI=1S/C3H7NO4Se/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
定義日:	2013-12-19
最終更新日:	2023-11-03
公開日:	2013-12-25
識別子（ID）:	3-selenino-L-alanine

SEC

SEC
表記:	SELENOCYSTEINE
組成式:	C3 H7 N O2 Se
SMILES:	O=C(O)C(N)C[SeH]
InChi:	InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	3-selanyl-L-alanine

BAL

BAL
表記:	BETA-ALANINE
組成式:	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)
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	beta-alanine

SEL

SEL
表記:	2-AMINO-1,3-PROPANEDIOL
組成式:	C3 H9 N O2
SMILES:	OCC(N)CO
InChi:	InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
別名:	SERINOL
定義日:	1999-10-14
最終更新日:	2023-11-03
識別子（ID）:	2-aminopropane-1,3-diol

SEM

SEM
表記:	O-benzyl-L-serine
組成式:	C10 H13 N O3
SMILES:	O=C(O)C(N)COCc1ccccc1
InChi:	InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
別名:	(2S)-2-azanyl-3-phenylmethoxy-propanoic acid
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	O-benzyl-L-serine

SEP

SEP
表記:	PHOSPHOSERINE
組成式:	C3 H8 N O6 P
SMILES:	O=P(O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
別名:	PHOSPHONOSERINE
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	O-phosphono-L-serine

SER

SER
表記:	SERINE
組成式:	C3 H7 N O3
SMILES:	O=C(O)C(N)CO
InChi:	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	L-serine

BB8

BB8
表記:	(2S,3S)-BETA-HYDROXY-PHENYLALANINE
組成式:	C9 H11 N O3
SMILES:	O=C(O)C(N)C(O)c1ccccc1
InChi:	InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1
別名:	BETA-HYDROXY-PHENYLALANINE
定義日:	2009-01-15
最終更新日:	2023-11-03
識別子（ID）:	(betaS)-beta-hydroxy-L-phenylalanine

BBC

BBC
表記:	3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL
組成式:	C7 H16 N2 O2 S
SMILES:	O=S(CC(=[N@H])CO)CCCCN
InChi:	InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1
定義日:	2005-05-18
最終更新日:	2023-11-03
識別子（ID）:	(2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol

BCS

BCS
表記:	BENZYLCYSTEINE
組成式:	C10 H13 N O2 S
SMILES:	O=C(O)C(N)CSCc1ccccc1
InChi:	InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	S-benzyl-L-cysteine

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