Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
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
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
WDC
WDC
Name:2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
Formula:C10 H15 Cl N2 O
SMILES:Clc1ccc(N)cc1CN(C)CCO
InChi:InChI=1S/C10H15ClN2O/c1-13(4-5-14)7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7,12H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-{[(5-amino-2-chlorophenyl)methyl](methyl)amino}ethan-1-ol
VGU
VGU
Name:N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
Formula:C9 H8 N2 O3
SMILES:O=C(/N=C/C(=O)NO)c1ccccc1
InChi:InChI=1S/C9H8N2O3/c12-8(11-14)6-10-9(13)7-4-2-1-3-5-7/h1-6,14H,(H,11,12)/b10-6+
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide
WDH
WDH
Name:N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
Formula:C11 H18 N4 O
SMILES:Cc1nc(ccn1)N(CC(=O)NCC)CC
InChi:InChI=1S/C11H18N4O/c1-4-12-11(16)8-15(5-2)10-6-7-13-9(3)14-10/h6-7H,4-5,8H2,1-3H3,(H,12,16)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
WDN
WDN
Name:methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
Formula:C9 H11 N O3 S
SMILES:CN(CC(=O)OC)C(=O)c1ccsc1
InChi:InChI=1S/C9H11NO3S/c1-10(5-8(11)13-2)9(12)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
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
WDZ
WDZ
Name:methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate
Formula:C9 H14 N4 O2
SMILES:COC(=O)Cn1nnnc1C1CCCC1
InChi:InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate
V1U
V1U
Name:2-(2-methoxyethoxy)benzoic acid
Formula:C10 H12 O4
SMILES:O=C(O)c1ccccc1OCCOC
InChi:InChI=1S/C10H12O4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-(2-methoxyethoxy)benzoic acid
VWC
VWC
Name:4-(2-methylpropoxy)benzohydrazide
Formula:C11 H16 N2 O2
SMILES:NNC(=O)c1ccc(OCC(C)C)cc1
InChi:InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-9(4-6-10)11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:4-(2-methylpropoxy)benzohydrazide
WE5
WE5
Name:methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate
Formula:C12 H13 N O3
SMILES:O=C(OC)C1CC(=O)N(C1)c1ccccc1
InChi:InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate
VWH
VWH
Name:2-[(cyclopentylamino)methyl]-6-methoxyphenol
Formula:C13 H19 N O2
SMILES:COc1cccc(CNC2CCCC2)c1O
InChi:InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-[(cyclopentylamino)methyl]-6-methoxyphenol
VHO
VHO
Name:N-cyclopropyl-2-(3-fluorophenoxy)acetamide
Formula:C11 H12 F N O2
SMILES:O=C(COc1cccc(F)c1)NC1CC1
InChi:InChI=1S/C11H12FNO2/c12-8-2-1-3-10(6-8)15-7-11(14)13-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,13,14)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-cyclopropyl-2-(3-fluorophenoxy)acetamide
VWL
VWL
Name:N-(4-aminophenyl)-5-methylfuran-3-carboxamide
Formula:C12 H12 N2 O2
SMILES:Cc1cc(co1)C(=O)Nc1ccc(N)cc1
InChi:InChI=1S/C12H12N2O2/c1-8-6-9(7-16-8)12(15)14-11-4-2-10(13)3-5-11/h2-7H,13H2,1H3,(H,14,15)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-(4-aminophenyl)-5-methylfuran-3-carboxamide
VWR
VWR
Name:1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine
Formula:C8 H11 N5 S
SMILES:CCn1nnnc1NCc1cccs1
InChi:InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine
V29
V29
Name:(3R)-3-(benzylamino)oxolane-3-carboxylic acid
Formula:C12 H15 N O3
SMILES:O=C(O)C1(NCc2ccccc2)CCOC1
InChi:InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(3R)-3-(benzylamino)oxolane-3-carboxylic acid
VI2
VI2
Name:N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea
Formula:C10 H14 N2 O S
SMILES:S=C(Nc1cc(C)ccc1)NCCO
InChi:InChI=1S/C10H14N2OS/c1-8-3-2-4-9(7-8)12-10(14)11-5-6-13/h2-4,7,13H,5-6H2,1H3,(H2,11,12,14)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-(2-hydroxyethyl)-N'-(3-methylphenyl)thiourea
V2L
V2L
Name:1-(1-benzyl-1H-imidazol-2-yl)methanamine
Formula:C11 H13 N3
SMILES:NCc1nccn1Cc1ccccc1
InChi:InChI=1S/C11H13N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-(1-benzyl-1H-imidazol-2-yl)methanamine
VI8
VI8
Name:3-{[(pyridin-3-yl)methyl]amino}benzoic acid
Formula:C13 H12 N2 O2
SMILES:O=C(O)c1cc(NCc2cccnc2)ccc1
InChi:InChI=1S/C13H12N2O2/c16-13(17)11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:3-{[(pyridin-3-yl)methyl]amino}benzoic acid
VX5
VX5
Name:(3R)-N-cyclohexylpiperidine-3-carboxamide
Formula:C12 H22 N2 O
SMILES:O=C(NC1CCCCC1)C1CCCNC1
InChi:InChI=1S/C12H22N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h10-11,13H,1-9H2,(H,14,15)/t10-/m1/s1
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(3R)-N-cyclohexylpiperidine-3-carboxamide
VIE
VIE
Name:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
Formula:C12 H18 N2
SMILES:CN(C)C1(Cc2ccccc2C1)CN
InChi:InChI=1S/C12H18N2/c1-14(2)12(9-13)7-10-5-3-4-6-11(10)8-12/h3-6H,7-9,13H2,1-2H3
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-(aminomethyl)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
V2U
V2U
Name:2-chloro-N-(3,5-dimethoxyphenyl)acetamide
Formula:C10 H12 Cl N O3
SMILES:COc1cc(cc(OC)c1)NC(=O)CCl
InChi:InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-chloro-N-(3,5-dimethoxyphenyl)acetamide
VXB
VXB
Name:5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
Formula:C9 H11 Br N2 O2
SMILES:O=C(NCCOC)c1cncc(Br)c1
InChi:InChI=1S/C9H11BrN2O2/c1-14-3-2-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
VXF
VXF
Name:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
Formula:C10 H15 N3 O
SMILES:NCc1cc(ncc1)N1CCOCC1
InChi:InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-[2-(morpholin-4-yl)pyridin-4-yl]methanamine
VIX
VIX
Name:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
Formula:C12 H14 Cl N O3
SMILES:OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon