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: 40291 results BIRD

9R0

9R0
Name:	2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid
Formula:	C28 H25 Cl2 N3 O4 S
SMILES:	c7c(Cl)c(c2noc(C1CC1)c2COC3CC6(C3)CN(c4sc5c(n4)ccc(c5)C(O)=O)CC6)c(cc7)Cl
InChi:	InChI=1S/C28H25Cl2N3O4S/c29-19-2-1-3-20(30)23(19)24-18(25(37-32-24)15-4-5-15)13-36-17-11-28(12-17)8-9-33(14-28)27-31-21-7-6-16(26(34)35)10-22(21)38-27/h1-3,6-7,10,15,17H,4-5,8-9,11-14H2,(H,34,35)/t17-,28+
Definition date:	2018-06-26
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[(2r,4s)-2-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid

9R3

9R3
Name:	2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
Formula:	C29 H27 Cl2 N3 O4 S
SMILES:	OC(c1cc2c(cc1)nc(s2)N3CC4C(C(C3)CCC4)OCc5c(onc5c6c(cccc6Cl)Cl)C7CC7)=O
InChi:	InChI=1S/C29H27Cl2N3O4S/c30-20-5-2-6-21(31)24(20)25-19(27(38-33-25)15-7-8-15)14-37-26-17-3-1-4-18(26)13-34(12-17)29-32-22-10-9-16(28(35)36)11-23(22)39-29/h2,5-6,9-11,15,17-18,26H,1,3-4,7-8,12-14H2,(H,35,36)/t17-,18+,26-
Definition date:	2018-06-26
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-[(9-anti)-9-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid

9UQ

9UQ
Name:	(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
Formula:	C13 H16 N2 O2
SMILES:	CC[C]1(CCC(=O)NC1=O)c2ccc(N)cc2
InChi:	InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione

9V2

9V2
Name:	(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione
Formula:	C7 H11 N O2
SMILES:	CC[C]1(C)CC(=O)NC1=O
InChi:	InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1
Definition date:	2017-07-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione

9Z9

9Z9
Name:	(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en
Formula:	C34 H56 O5
SMILES:	CC34C2C(OC1(OCC(CC1)C)C2C)CC3C5C(CC4)C6(C)C(=CC5)CC(CC6)OCCC(COC)COC
InChi:	InChI=1S/C34H56O5/c1-22-9-15-34(38-19-22)23(2)31-30(39-34)18-29-27-8-7-25-17-26(37-16-12-24(20-35-5)21-36-6)10-13-32(25,3)28(27)11-14-33(29,31)4/h7,22-24,26-31H,8-21H2,1-6H3/t22-,23+,26+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1
Definition date:	2018-09-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en

N19

N19
Name:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H21 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
InChi:	InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
Definition date:	2017-11-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

BFK

BFK
Name:	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
Formula:	C24 H30 N6 O3 S
SMILES:	CN1CCN(CC1)c2cc(Nc3ncc(C)c(Nc4cccc(CO)c4)n3)cc(c2)[S](C)(=O)=O
InChi:	InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)
Definition date:	2017-09-29
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	[3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol

BLJ

BLJ
Name:	(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
Formula:	C5 H12 As N O4
SMILES:	[As](CCC(C(=O)O)N)(=O)(O)C
InChi:	InChI=1S/C5H12AsNO4/c1-6(10,11)3-2-4(7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2017-08-14
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid

P70

P70
Name:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine
Formula:	C17 H19 N2 O7 P
SMILES:	C(=O)(O)C(N=Cc1c(c(C)ncc1COP(O)(O)=O)O)Cc2ccccc2
InChi:	InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,15,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b19-9+/t15-/m0/s1
Definition date:	2018-06-22
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine

P71

P71
Name:	(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid
Formula:	C17 H19 N2 O7 P
SMILES:	C(C(=NC=C1C(=CNC(=C1O)C)COP(=O)(O)O)Cc2ccccc2)(O)=O
InChi:	InChI=1S/C17H19N2O7P/c1-11-16(20)14(13(8-18-11)10-26-27(23,24)25)9-19-15(17(21)22)7-12-5-3-2-4-6-12/h2-6,8-9,18,20H,7,10H2,1H3,(H,21,22)(H2,23,24,25)/b14-9-,19-15+
Definition date:	2018-06-22
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid

JFM

JFM
Name:	N-(2-phenylethyl)methanesulfonamide
Formula:	C9 H13 N O2 S
SMILES:	c1cccc(CCNS(C)(=O)=O)c1
InChi:	InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-(2-phenylethyl)methanesulfonamide

JFP

JFP
Name:	N-(4-methyl-1,3-thiazol-2-yl)propanamide
Formula:	C7 H10 N2 O S
SMILES:	CCC(=O)Nc1nc(cs1)C
InChi:	InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-(4-methyl-1,3-thiazol-2-yl)propanamide

JFV

JFV
Name:	methyl 2-(4-aminophenoxy)benzoate
Formula:	C14 H13 N O3
SMILES:	c2(Oc1ccc(cc1)N)c(C(OC)=O)cccc2
InChi:	InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	methyl 2-(4-aminophenoxy)benzoate

JFY

JFY
Name:	N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide
Formula:	C11 H17 N O2 S
SMILES:	c1c(C(CC)C)ccc(c1)NS(C)(=O)=O
InChi:	InChI=1S/C11H17NO2S/c1-4-9(2)10-5-7-11(8-6-10)12-15(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide

JGA

JGA
Name:	N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
Formula:	C7 H11 N3 O2
SMILES:	CCNC(=O)Nc1noc(c1)C
InChi:	InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea

JGD

JGD
Name:	N,N-dimethylpyridin-4-amine
Formula:	C7 H10 N2
SMILES:	CN(c1ccncc1)C
InChi:	InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N,N-dimethylpyridin-4-amine

JGG

JGG
Name:	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
Formula:	C13 H15 N3 O2
SMILES:	C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2
InChi:	InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide

JGJ

JGJ
Name:	2-methoxy-N-[(1R)-1-phenylethyl]acetamide
Formula:	C11 H15 N O2
SMILES:	C(NC(C)c1ccccc1)(=O)COC
InChi:	InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	2-methoxy-N-[(1R)-1-phenylethyl]acetamide

JGM

JGM
Name:	{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide
Formula:	C11 H15 N3 O3
SMILES:	c1(ccc(CC(NC(C)=O)C(=O)NN)cc1)O
InChi:	InChI=1S/C11H15N3O3/c1-7(15)13-10(11(17)14-12)6-8-2-4-9(16)5-3-8/h2-5,10,16H,6,12H2,1H3,(H,13,15)(H,14,17)/t10-/m0/s1
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]acetamide (non-preferred name)

JGP

JGP
Name:	(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone
Formula:	C14 H17 N O3
SMILES:	C1N(CCCCC1)C(c3ccc2OCOc2c3)=O
InChi:	InChI=1S/C14H17NO3/c16-14(15-7-3-1-2-4-8-15)11-5-6-12-13(9-11)18-10-17-12/h5-6,9H,1-4,7-8,10H2
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone

JGS

JGS
Name:	3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid
Formula:	C11 H8 N2 O4
SMILES:	c1(oncc1)C(Nc2cc(C(O)=O)ccc2)=O
InChi:	InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid

JGV

JGV
Name:	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
Formula:	C11 H13 N3 O2 S
SMILES:	C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3
InChi:	InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

JGY

JGY
Name:	1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
Formula:	C10 H15 N3 O2
SMILES:	C(C1CCCO1)NC(c2ccn(C)n2)=O
InChi:	InChI=1S/C10H15N3O2/c1-13-5-4-9(12-13)10(14)11-7-8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,14)/t8-/m0/s1
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide

JH7

JH7
Name:	1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one
Formula:	C10 H11 N3 O
SMILES:	c2c(NC=1N(C)NC(C=1)=O)cccc2
InChi:	InChI=1S/C10H11N3O/c1-13-9(7-10(14)12-13)11-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,12,14)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one

JHA

JHA
Name:	3-chloro-4-(4-methylpiperidin-1-yl)aniline
Formula:	C12 H17 Cl N2
SMILES:	c1cc(c(cc1N)Cl)N2CCC(C)CC2
InChi:	InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	3-chloro-4-(4-methylpiperidin-1-yl)aniline

<933 934 935 936 937 938 939940941 942 943 944 945 946 947 948 >

226707

PDB entries from 2024-10-30

PDB statistics

PDBj update info

Contact PDBj

numon