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: 36733 results BIRD

VXS

VXS
Name:	4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O
InChi:	InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22)
Definition date:	2020-09-20
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

VXV

VXV
Name:	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H15 Cl N2 O3
SMILES:	C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl
InChi:	InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23)
Definition date:	2020-09-20
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

W4Y

W4Y
Name:	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C11 H15 N3 O2 S
SMILES:	C1(=O)NC(N(CCOC(C)C)c2ccnc12)=S
InChi:	InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

W51

W51
Name:	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
Formula:	C11 H15 Cl N4
SMILES:	C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3
InChi:	InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine

W57

W57
Name:	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine
Formula:	C10 H10 N6 O2
SMILES:	c3(CN2C=NC(=C1N=CN=C12)N)onc(c3)OC
InChi:	InChI=1S/C10H10N6O2/c1-17-7-2-6(18-15-7)3-16-5-14-9(11)8-10(16)13-4-12-8/h2,4-5H,3,11H2,1H3
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine

W5A

W5A
Name:	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine
Formula:	C10 H10 N6 S
SMILES:	c1(csc(n1)C)CN2C=3C(=C(N)N=C2)N=CN=3
InChi:	InChI=1S/C10H10N6S/c1-6-15-7(3-17-6)2-16-5-14-9(11)8-10(16)13-4-12-8/h3-5H,2,11H2,1H3
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine

W5D

W5D
Name:	4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C13 H18 N4 O
SMILES:	c2(c1ccnc1ncn2)N3CCOCCCCC3
InChi:	InChI=1S/C13H18N4O/c1-2-6-17(7-9-18-8-3-1)13-11-4-5-14-12(11)15-10-16-13/h4-5,10H,1-3,6-9H2,(H,14,15,16)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

W5G

W5G
Name:	4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C13 H16 N4
SMILES:	n2c1nccc1c(nc2)N4CCCC3(CC3)C4
InChi:	InChI=1S/C13H16N4/c1-3-13(4-5-13)8-17(7-1)12-10-2-6-14-11(10)15-9-16-12/h2,6,9H,1,3-5,7-8H2,(H,14,15,16)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

W5J

W5J
Name:	N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
Formula:	C10 H12 N4 O2
SMILES:	c1nc2nccc2c(n1)N(C)CCC(O)=O
InChi:	InChI=1S/C10H12N4O2/c1-14(5-3-8(15)16)10-7-2-4-11-9(7)12-6-13-10/h2,4,6H,3,5H2,1H3,(H,15,16)(H,11,12,13)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine

W5P

W5P
Name:	4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C11 H13 F N4
SMILES:	c1nc3nccc3c(n1)N2CCCC(F)C2
InChi:	InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

W5S

W5S
Name:	7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C13 H14 N4 O
SMILES:	n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3
InChi:	InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

W6G

W6G
Name:	N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Formula:	C8 H7 N3 O2 S2
SMILES:	c1(ccccc1)S(Nc2scnn2)(=O)=O
InChi:	InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

W6M

W6M
Name:	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
Formula:	C12 H11 N3 O4
SMILES:	c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2
InChi:	InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid

W6V

W6V
Name:	N-(1,3-thiazol-2-yl)benzamide
Formula:	C10 H8 N2 O S
SMILES:	c2c(C(=O)Nc1nccs1)cccc2
InChi:	InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
Definition date:	2020-09-29
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	N-(1,3-thiazol-2-yl)benzamide

EDF

EDF
Name:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
Formula:	C23 H25 N5 O
SMILES:	CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12
InChi:	InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one

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

<483 484 485 486 487 488 489490491 492 493 494 495 496 497 498 >

225399

数据于2024-09-25公开中

PDB statistics

PDBj update info

Contact PDBj

numon