Chemie Search results for query - Protein Data Bank Japan

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: 7241 results BIRD

U39

U39
Name:	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
Formula:	C18 H20 N2 O4 S
SMILES:	O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1
InChi:	InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
Definition date:	2022-08-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide

VRR

VRR
Name:	ethyl N-benzyl-beta-alaninate
Formula:	C12 H17 N O2
SMILES:	O=C(OCC)CCNCc1ccccc1
InChi:	InChI=1S/C12H17NO2/c1-2-15-12(14)8-9-13-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	ethyl N-benzyl-beta-alaninate

VCO

VCO
Name:	ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate
Formula:	C11 H16 N2 O2
SMILES:	O=C(OCC)C(C#N)=C1CCCCCN1
InChi:	InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9-
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	ethyl (2Z)-(azepan-2-ylidene)(cyano)acetate

W7X

W7X
Name:	1-(6-methylpyridin-2-yl)-1,4-diazepane
Formula:	C11 H17 N3
SMILES:	Cc1nc(ccc1)N1CCCNCC1
InChi:	InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	1-(6-methylpyridin-2-yl)-1,4-diazepane

VS7

VS7
Name:	(2R)-1-(1H-indol-3-yl)propan-2-amine
Formula:	C11 H14 N2
SMILES:	CC(N)Cc1c[NH]c2ccccc21
InChi:	InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-1-(1H-indol-3-yl)propan-2-amine

UXB

UXB
Name:	(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
Formula:	C9 H12 Cl N O
SMILES:	NC(CCO)c1cc(Cl)ccc1
InChi:	InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1
Definition date:	2022-08-26
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol

VDD

VDD
Name:	(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid
Formula:	C8 H9 N O2 S
SMILES:	CC(Sc1ccccn1)C(=O)O
InChi:	InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid

VF9

VF9
Name:	1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one
Formula:	C12 H17 N O2
SMILES:	CC(=O)N1CCCCCC1c1ccco1
InChi:	InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one

VUN

VUN
Name:	4-{[(propan-2-yl)oxy]methyl}benzoic acid
Formula:	C11 H14 O3
SMILES:	O=C(O)c1ccc(COC(C)C)cc1
InChi:	InChI=1S/C11H14O3/c1-8(2)14-7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-{[(propan-2-yl)oxy]methyl}benzoic acid

VFL

VFL
Name:	(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol
Formula:	C11 H17 N O2
SMILES:	NCC(O)COc1ccc(C)cc1C
InChi:	InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol

V03

V03
Name:	(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol
Formula:	C10 H15 N O2
SMILES:	COc1ccc(cc1)C(N)CCO
InChi:	InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3S)-3-amino-3-(4-methoxyphenyl)propan-1-ol

VFR

VFR
Name:	(3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide
Formula:	C10 H13 N3 O2
SMILES:	N=C(NO)CC(=O)NCc1ccccc1
InChi:	InChI=1S/C10H13N3O2/c11-9(13-15)6-10(14)12-7-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H2,11,13)(H,12,14)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3E)-N-benzyl-3-(hydroxyamino)-3-iminopropanamide

VV0

VV0
Name:	4-amino-3-methyl-N-(propan-2-yl)benzamide
Formula:	C11 H16 N2 O
SMILES:	Cc1cc(ccc1N)C(=O)NC(C)C
InChi:	InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-4-5-10(12)8(3)6-9/h4-7H,12H2,1-3H3,(H,13,14)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-amino-3-methyl-N-(propan-2-yl)benzamide

WBL

WBL
Name:	propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
Formula:	C8 H13 N3 O2 S2
SMILES:	Nc1nnc(SC(C)C(=O)OCCC)s1
InChi:	InChI=1S/C8H13N3O2S2/c1-3-4-13-6(12)5(2)14-8-11-10-7(9)15-8/h5H,3-4H2,1-2H3,(H2,9,10)/t5-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	propyl (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

VVK

VVK
Name:	N-(2-methoxyphenyl)-2-methyl-L-alanine
Formula:	C11 H15 N O3
SMILES:	COc1ccccc1NC(C)(C)C(=O)O
InChi:	InChI=1S/C11H15NO3/c1-11(2,10(13)14)12-8-6-4-5-7-9(8)15-3/h4-7,12H,1-3H3,(H,13,14)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(2-methoxyphenyl)-2-methyl-L-alanine

O2L

O2L
Name:	N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
Formula:	C17 H16 F4 N2 O4 S
SMILES:	Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C
InChi:	InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)
Definition date:	2022-04-17
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide

VVR

VVR
Name:	3-phenoxypropanoic acid
Formula:	C9 H10 O3
SMILES:	O=C(O)CCOc1ccccc1
InChi:	InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-phenoxypropanoic acid

VW3

VW3
Name:	N-hydroxy-3-phenoxypropanamide
Formula:	C9 H11 N O3
SMILES:	ONC(=O)CCOc1ccccc1
InChi:	InChI=1S/C9H11NO3/c11-9(10-12)6-7-13-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-hydroxy-3-phenoxypropanamide

VH9

VH9
Name:	(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol
Formula:	C11 H16 F N O
SMILES:	OC(CNC(C)C)c1ccc(F)cc1
InChi:	InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol

WD8

WD8
Name:	methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate
Formula:	C11 H15 N O3 S
SMILES:	O=C(N(CC(=O)OC)C(C)C)c1ccsc1
InChi:	InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate

VIP

VIP
Name:	3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol
Formula:	C9 H13 N O2
SMILES:	NC(C)(CO)c1cc(O)ccc1
InChi:	InChI=1S/C9H13NO2/c1-9(10,6-11)7-3-2-4-8(12)5-7/h2-5,11-12H,6,10H2,1H3/t9-/m1/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-[(2S)-2-amino-1-hydroxypropan-2-yl]phenol

807

807
Name:	2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine
Formula:	C17 H18 Cl F2 N5 O2
SMILES:	CC(C)Oc1cc(Cn2cnc3c(N)nc(Cl)nc23)cc(OCC(F)F)c1
InChi:	InChI=1S/C17H18ClF2N5O2/c1-9(2)27-12-4-10(3-11(5-12)26-7-13(19)20)6-25-8-22-14-15(21)23-17(18)24-16(14)25/h3-5,8-9,13H,6-7H2,1-2H3,(H2,21,23,24)
Definition date:	2021-11-08
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-propan-2-yloxy-phenyl]methyl]-2-chloranyl-purin-6-amine

KQI

KQI
Name:	6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide
Formula:	C19 H27 N5 O4
SMILES:	C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:	InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16+,17-/m1/s1
Synonyms:	Beta-lactone antibacterial agent (open form)
Definition date:	2022-06-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide

KQN

KQN
Name:	6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
Formula:	C13 H23 N5 O4
SMILES:	C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:	InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1
Synonyms:	Beta-lactone antibacterial agent (open form)
Definition date:	2022-06-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide

M6X

M6X
Name:	N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide
Formula:	C19 H20 N2 O6
SMILES:	ONC(=O)CCN(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1
InChi:	InChI=1S/C19H20N2O6/c22-19(20-23)5-6-21(9-13-1-3-15-17(7-13)26-11-24-15)10-14-2-4-16-18(8-14)27-12-25-16/h1-4,7-8,23H,5-6,9-12H2,(H,20,22)
Definition date:	2022-03-14
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide

<48 49 50 51 52 53 545556 57 58 59 60 61 62 63 >

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon