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: 43884 results BIRD

7LX

7LX
Name:	(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid
Formula:	C20 H20 N2 O4
SMILES:	CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O
InChi:	InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1
Synonyms:	2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid
Definition date:	2016-12-13
Last modified:	2021-03-01
Release date:	2017-06-21
Identifier:	(2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid

7M0

7M0
Name:	5,6-DIBROMOBENZOTRIAZOLE
Formula:	C6 H3 Br2 N3
SMILES:	Brc1cc2[nH]nnc2cc1Br
InChi:	InChI=1S/C6H3Br2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
Synonyms:	DIBROMO-2-BENZOTRIAZOLE
Definition date:	2016-11-18
Last modified:	2021-03-01
Release date:	2018-01-17
Identifier:	5,6-bis(bromanyl)-1~{H}-benzotriazole

SHH

SHH
Name:	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE
Formula:	C14 H20 N2 O3
SMILES:	O=C(Nc1ccccc1)CCCCCCC(=O)NO
InChi:	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
Synonyms:	SAHA
Definition date:	1999-07-30
Last modified:	2021-03-01
Identifier:	N-hydroxy-N'-phenyloctanediamide

SHI

SHI
Name:	(S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID
Formula:	C6 H8 N2 O4
SMILES:	O=C(O)C(N)Cc1conc1O
InChi:	InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
Synonyms:	(S)-DES-ME-AMPA
Definition date:	2002-09-18
Last modified:	2021-03-01
Identifier:	3-(3-hydroxyisoxazol-4-yl)-L-alanine

7NA

7NA
Name:	2-hydroxy-7-methoxy-5-methyl naphthoic acid
Formula:	C13 H12 O4
SMILES:	O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C
InChi:	InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
Synonyms:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
Definition date:	2009-07-10
Last modified:	2021-03-01
Identifier:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

SIP

SIP
Name:	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Formula:	C23 H26 F N3 O2
SMILES:	Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4
InChi:	InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Synonyms:	Spiperone
Definition date:	2017-08-08
Last modified:	2021-03-01
Release date:	2020-12-30
Identifier:	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

SIS

SIS
Name:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
Formula:	C19 H37 N5 O7
SMILES:	O(C2C(O)C(OC1OC(=CCC1N)CN)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:	InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
Synonyms:	Sisomicin
Definition date:	2012-06-12
Last modified:	2021-03-01
Identifier:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside

SKA

SKA
Name:	7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE
Formula:	C9 H9 Cl2 N
SMILES:	Clc1c(Cl)ccc2c1CNCC2
InChi:	InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
Synonyms:	SK&F 64139
Definition date:	2005-03-02
Last modified:	2021-03-01
Identifier:	7,8-dichloro-1,2,3,4-tetrahydroisoquinoline

SKK

SKK
Name:	N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:	C19 H25 N7 O2
SMILES:	N#CC3N(C(=O)CNC(C)(C)CNC(=O)c1cn2nc(cc2nc1)C)CCC3
InChi:	InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
Synonyms:	Anagliptin
Definition date:	2014-02-07
Last modified:	2021-03-01
Release date:	2015-07-15
Identifier:	N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

7PD

7PD
Name:	2-aminopteridine-4,7(3H,8H)-dione
Formula:	C6 H5 N5 O2
SMILES:	C2=NC=1C(=O)NC(=NC=1NC2=O)N
InChi:	InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
Synonyms:	isoxanthopterin
Definition date:	2016-11-28
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	2-aminopteridine-4,7(3H,8H)-dione

7PE

7PE
Name:	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Formula:	C14 H30 O7
SMILES:	O(CCOCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3
Synonyms:	POLYETHYLENE GLYCOL FRAGMENT
Definition date:	2005-12-28
Last modified:	2021-03-01
Identifier:	3,6,9,12,15,18-hexaoxaicosan-1-ol

SKM

SKM
Name:	(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID
Formula:	C7 H10 O5
SMILES:	O=C(O)C1=CC(O)C(O)C(O)C1
InChi:	InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
Synonyms:	SHIKIMATE
Definition date:	2004-08-16
Last modified:	2021-03-01
Identifier:	(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid

7PH

7PH
Name:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
Formula:	C29 H57 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O
InChi:	InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2008-04-28
Last modified:	2021-03-01
Identifier:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate

SKP

SKP
Name:	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID
Formula:	C10 H16 O14 P2
SMILES:	O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)C
InChi:	InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1
Synonyms:	5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-SHIKIMATE-3-PHOSPHATE
Definition date:	2003-08-13
Last modified:	2021-03-01
Identifier:	(3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid

SL0

SL0
Name:	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside
Formula:	C25 H24 O12
SMILES:	O=C2C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4
InChi:	InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
Synonyms:	SL 0101-1
Definition date:	2011-11-16
Last modified:	2021-03-01
Release date:	2012-08-31
Identifier:	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside

SLC

SLC
Name:	SELENO-CAPTOPRIL
Formula:	C9 H13 N O3 Se
SMILES:	O=C(O)C1N(C(=O)C(=C)C[SeH])CCC1
InChi:	InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1
Synonyms:	1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE
Definition date:	2011-03-22
Last modified:	2021-03-01
Identifier:	1-[2-(selanylmethyl)acryloyl]-L-proline

SLN

SLN
Name:	1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDINYL-3-CARBAMIDO)-2-PROPYLDISPHOSPHATE
Formula:	C18 H29 N7 O11 P2
SMILES:	[O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCC(OP(=O)(O)OP(=O)(O)O)CNC(=O)C2C(N(O)C(C)(C)C2)(C)C
InChi:	InChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1
Synonyms:	(SL-NANDP)
Definition date:	2003-04-22
Last modified:	2021-03-01
Identifier:	(1S)-2-[(4-azido-2-nitrophenyl)amino]-1-[({[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]carbonyl}amino)methyl]ethyl trihydrogen diphosphate

SLO

SLO
Name:	2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
Formula:	C20 H17 F O4 S
SMILES:	O=S(=O)(c1ccc(cc1)/C=C3c2ccc(F)cc2C(=C3C)CC(=O)O)C
InChi:	InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
Synonyms:	sulindac sulfone
Definition date:	2011-05-19
Last modified:	2021-03-01
Identifier:	{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetic acid

SN6

SN6
Name:	1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM
Formula:	C29 H27 N5 O
SMILES:	O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C
InChi:	InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2
Synonyms:	SN6999
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium

SN7

SN7
Name:	4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE
Formula:	C29 H29 N7 O
SMILES:	O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C
InChi:	InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2
Synonyms:	SN7167
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium

7S1

7S1
Name:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine
Formula:	C19 H17 N5
SMILES:	C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3
InChi:	InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1
Synonyms:	antagonist A804598
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-04
Identifier:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine

SN8

SN8
Name:	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Formula:	C30 H47 N5 O
SMILES:	O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5
InChi:	InChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22?,23-,24?,25+
Synonyms:	SN8315
Definition date:	2005-05-20
Last modified:	2021-03-01
Identifier:	trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide

7S4

7S4
Name:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
Formula:	C26 H30 N6 O3
SMILES:	c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1
Synonyms:	antagonist A740003
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

SNI

SNI
Name:	9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE
Formula:	C10 H12 N4 O4 Se
SMILES:	[Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
Synonyms:	SELENOINOSINE
Definition date:	2004-02-25
Last modified:	2021-03-01
Identifier:	9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone

SNO

SNO
Name:	(S)-PARA-NITROSTYRENE OXIDE
Formula:	C8 H7 N O3
SMILES:	[O-][N+](=O)c1ccc(cc1)C2OC2
InChi:	InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m1/s1
Synonyms:	(2S)-2-(4-NITROPHENYL)OXIRANE
Definition date:	2005-05-20
Last modified:	2021-03-01
Identifier:	(2S)-2-(4-nitrophenyl)oxirane

<640 641 642 643 644 645 646647648 649 650 651 652 653 654 655 >

238582

PDB entries from 2025-07-09

PDB statistics

PDBj update info

Contact PDBj

numon