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: 4735 results BIRD

XLR

XLR
Name:	1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol
Formula:	C7 H14 F2 N O8 P
SMILES:	FC(F)(CC(O)C(O)C(O)CN(O)C=O)P(=O)(O)O
InChi:	InChI=1S/C7H14F2NO8P/c8-7(9,19(16,17)18)1-4(12)6(14)5(13)2-10(15)3-11/h3-6,12-15H,1-2H2,(H2,16,17,18)/t4-,5+,6-/m1/s1
Definition date:	2022-11-29
Last modified:	2023-12-01
Release date:	2023-12-06
Identifier:	1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol

FI6

FI6
Name:	N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C32 H28 F3 N5 O4
SMILES:	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5
InChi:	InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
Synonyms:	(+/-)-AMG 487
Definition date:	2023-07-20
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide

QUF

QUF
Name:	~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Formula:	C27 H19 F6 N7 O
SMILES:	Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)nc(nc12)c5cccnc5
InChi:	InChI=1S/C27H19F6N7O/c1-14-5-6-15(25(41)36-19-10-17(26(28,29)30)9-18(11-19)27(31,32)33)8-21(14)37-23-20-13-35-40(2)24(20)39-22(38-23)16-4-3-7-34-12-16/h3-13H,1-2H3,(H,36,41)(H,37,38,39)
Definition date:	2022-11-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

R4U

R4U
Name:	~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Formula:	C11 H16 N6
SMILES:	Nc1nc(NC2CCCCC2)c3c[nH]nc3n1
InChi:	InChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
Definition date:	2022-11-23
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine

U3C

U3C
Name:	N-(6-methylpyridin-2-yl)-D-prolinamide
Formula:	C11 H15 N3 O
SMILES:	O=C(Nc1cccc(C)n1)C1CCCN1
InChi:	InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-(6-methylpyridin-2-yl)-D-prolinamide

XI3

XI3
Name:	(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
Formula:	C27 H25 F N6 O S
SMILES:	Cc1ccc(cc1F)n1cc2c(n1)ncnc2N1CCCC(C1)C(=O)NCc1cc2ccsc2cc1
InChi:	InChI=1S/C27H25FN6OS/c1-17-4-6-21(12-23(17)28)34-15-22-25(32-34)30-16-31-26(22)33-9-2-3-20(14-33)27(35)29-13-18-5-7-24-19(11-18)8-10-36-24/h4-8,10-12,15-16,20H,2-3,9,13-14H2,1H3,(H,29,35)/t20-/m0/s1
Definition date:	2022-11-21
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

XY9

XY9
Name:	2,3,4-tri-O-sulfo-beta-D-xylopyranose
Formula:	C5 H10 O14 S3
SMILES:	OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1
Definition date:	2022-08-09
Last modified:	2023-11-06
Release date:	2023-07-12
Identifier:	2,3,4-tri-O-sulfo-beta-D-xylopyranose

ZTT

ZTT
Name:	(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one
Formula:	C26 H28 N2 O4
SMILES:	C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12
InChi:	InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3
Synonyms:	(1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
Definition date:	2023-07-25
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one

VYH

VYH
Name:	8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C30 H36 Cl N7 O2
SMILES:	Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCOCC5)nc4N(CCCCN)C3=O
InChi:	InChI=1S/C30H36ClN7O2/c1-21-6-4-7-27(35-21)22-8-9-24(26(31)19-22)25-18-23-20-34-30(33-11-5-12-37-14-16-40-17-15-37)36-28(23)38(29(25)39)13-3-2-10-32/h4,6-9,18-20H,2-3,5,10-17,32H2,1H3,(H,33,34,36)
Definition date:	2023-09-20
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

VYN

VYN
Name:	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
Formula:	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)
Definition date:	2023-09-20
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	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

VZ2

VZ2
Name:	8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one
Formula:	C30 H34 Cl N7 O2
SMILES:	Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCCC5=O)nc4N(CCCCN)C3=O
InChi:	InChI=1S/C30H34ClN7O2/c1-20-7-4-8-26(35-20)21-10-11-23(25(31)18-21)24-17-22-19-34-30(33-13-6-15-37-14-5-9-27(37)39)36-28(22)38(29(24)40)16-3-2-12-32/h4,7-8,10-11,17-19H,2-3,5-6,9,12-16,32H2,1H3,(H,33,34,36)
Definition date:	2023-09-20
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one

MED

MED
Name:	D-METHIONINE
Formula:	C5 H11 N O2 S
SMILES:	O=C(O)C(N)CCSC
InChi:	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
Definition date:	2002-01-18
Last modified:	2023-11-03
Identifier:	D-methionine

DAR

DAR
Name:	D-ARGININE
Formula:	C6 H15 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium

DAS

DAS
Name:	D-ASPARTIC ACID
Formula:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-aspartic acid

DGL

DGL
Name:	D-GLUTAMIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(N)CCC(=O)O
InChi:	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
Definition date:	1999-07-07
Last modified:	2023-11-03
Identifier:	D-glutamic acid

DGN

DGN
Name:	D-GLUTAMINE
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CCC(N)C(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-glutamine

DHI

DHI
Name:	D-HISTIDINE
Formula:	C6 H10 N3 O2
SMILES:	O=C(O)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m1/s1
Definition date:	1999-09-08
Last modified:	2023-11-03
Identifier:	3-(1H-imidazol-3-ium-4-yl)-D-alanine

DIL

DIL
Name:	D-ISOLEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isoleucine

DLY

DLY
Name:	D-LYSINE
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)C(N)CCCCN
InChi:	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-lysine

DPR

DPR
Name:	D-PROLINE
Formula:	C5 H9 N O2
SMILES:	O=C(O)C1NCCC1
InChi:	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-proline

DSG

DSG
Name:	D-ASPARAGINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(N)CC(N)C(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
Definition date:	2004-06-28
Last modified:	2023-11-03
Identifier:	D-asparagine

DSN

DSN
Name:	D-SERINE
Formula:	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-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-serine

DTH

DTH
Name:	D-THREONINE
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(N)C(O)C
InChi:	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-threonine

DTR

DTR
Name:	D-TRYPTOPHAN
Formula:	C11 H12 N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-tryptophan

DTY

DTY
Name:	D-TYROSINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-tyrosine

<22 23 24 25 26 27 282930 31 32 33 34 35 36 37 >

238582

数据于2025-07-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon