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: 35611 results BIRD

EE6

EE6
Name:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
Formula:	C27 H28 O5
SMILES:	CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3
InChi:	InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one

EE9

EE9
Name:	(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C26 H26 N6 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12
InChi:	InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one

EEL

EEL
Name:	(2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
Formula:	C9 H15 N O3 S2
SMILES:	OC(=O)[CH]1CCCN1C(=O)C(CS)CS
InChi:	InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1
Definition date:	2019-12-16
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

EEO

EEO
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid

EER

EER
Name:	(2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid

EEX

EEX
Name:	(1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

EF0

EF0
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid

EF9

EF9
Name:	(3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid
Formula:	C10 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O
InChi:	InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid

EFF

EFF
Name:	1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
Formula:	C10 H18 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)C(N)=O
InChi:	InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide

EFR

EFR
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide
Formula:	C11 H20 N2 O2 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O
InChi:	InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide

EG0

EG0
Name:	2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid
Formula:	C11 H19 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O
InChi:	InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
Definition date:	2019-12-17
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid

EKX

EKX
Name:	(1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Formula:	C14 H17 N O3 S
SMILES:	C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O
InChi:	InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12+/m1/s1
Definition date:	2020-01-09
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(1~{S})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid

G6C

G6C
Name:	5-oxidanyl-1H-pyridin-2-one
Formula:	C5 H5 N O2
SMILES:	OC1=CNC(=O)C=C1
InChi:	InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)
Definition date:	2020-07-31
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	5-oxidanyl-1~{H}-pyridin-2-one

GXO

GXO
Name:	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Formula:	C40 H51 F4 N5 O9 S
SMILES:	CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6
InChi:	InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1
Definition date:	2020-10-06
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate

SV5

SV5
Name:	1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C14 H12 N2 O
SMILES:	O=C1NC=Cc2n(Cc3ccccc3)ccc12
InChi:	InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-(phenylmethyl)-5~{H}-pyrrolo[3,2-c]pyridin-4-one

SV8

SV8
Name:	3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
Formula:	C20 H16 N4 O
SMILES:	O=C1NCc2c1[nH]cc2c3cnc4[nH]cc(Cc5ccccc5)c4c3
InChi:	InChI=1S/C20H16N4O/c25-20-18-17(11-24-20)16(10-21-18)14-7-15-13(8-22-19(15)23-9-14)6-12-4-2-1-3-5-12/h1-5,7-10,21H,6,11H2,(H,22,23)(H,24,25)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

SVH

SVH
Name:	3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
Formula:	C13 H9 F N4 O
SMILES:	Fc1cc2[nH]ncc2c(c1)c3c[nH]c4C(=O)NCc34
InChi:	InChI=1S/C13H9FN4O/c14-6-1-7(9-5-17-18-11(9)2-6)8-3-15-12-10(8)4-16-13(12)19/h1-3,5,15H,4H2,(H,16,19)(H,17,18)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(6-fluoranyl-1~{H}-indazol-4-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

SVK

SVK
Name:	3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C14 H12 N2
SMILES:	C(c1ccccc1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridine

UHJ

UHJ
Name:	N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide
Formula:	C16 H14 N4 O3 S2
SMILES:	CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C(S3)=N)(=O)=O
InChi:	InChI=1S/C16H14N4O3S2/c1-25(22,23)20-13-4-2-11(3-5-13)12-6-10(8-18-9-12)7-14-15(21)19-16(17)24-14/h2-9,20H,1H3,(H2,17,19,21)/b14-7-
Definition date:	2019-11-08
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide

SVT

SVT
Name:	5-methoxy-1~{H}-indazole
Formula:	C8 H8 N2 O
SMILES:	COc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-methoxy-1~{H}-indazole

SW5

SW5
Name:	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H22 F N5
SMILES:	Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1
InChi:	InChI=1S/C22H22FN5/c23-19-3-1-15(2-4-19)9-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-5-7-24-8-6-20/h1-4,10-14,20,24H,5-9H2,(H,25,26)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

X4P

X4P
Name:	2-chloropyridine-4-carboxamide
Formula:	C6 H5 Cl N2 O
SMILES:	C(N)(c1cc(Cl)ncc1)=O
InChi:	InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-chloropyridine-4-carboxamide

SW8

SW8
Name:	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H22 F N5
SMILES:	Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1
InChi:	InChI=1S/C22H22FN5/c23-19-3-1-2-15(9-19)8-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-4-6-24-7-5-20/h1-3,9-14,20,24H,4-8H2,(H,25,26)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

SWB

SWB
Name:	3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one
Formula:	C14 H12 N4 O
SMILES:	Cc1c[nH]c2ncc(cc12)c3c[nH]c4C(=O)NCc34
InChi:	InChI=1S/C14H12N4O/c1-7-3-16-13-9(7)2-8(4-17-13)10-5-15-12-11(10)6-18-14(12)19/h2-5,15H,6H2,1H3,(H,16,17)(H,18,19)
Definition date:	2020-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one

X4V

X4V
Name:	N~4~,N~4~-dimethylpyridine-2,4-diamine
Formula:	C7 H11 N3
SMILES:	CN(C)c1ccnc(c1)N
InChi:	InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N~4~,N~4~-dimethylpyridine-2,4-diamine

<586 587 588 589 590 591 592593594 595 596 597 598 599 600 601 >

225946

数据于2024-10-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon