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: 44311 results BIRD

28S

28S
Name:	6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine
Formula:	C11 H10 Br N3
SMILES:	Brc2cc1c(ncnc1NCC=C)cc2
InChi:	InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
Synonyms:	SMER28
Definition date:	2011-07-12
Last modified:	2021-03-01
Identifier:	6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine

UGA

UGA
Name:	URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Formula:	C15 H22 N2 O18 P2
SMILES:	O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
InChi:	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
Synonyms:	UDP-GLUCURONIC ACID
Definition date:	1999-12-13
Last modified:	2021-03-01
Identifier:	(2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

UGC

UGC
Name:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid
Formula:	C3 H6 N2 O4
SMILES:	O=C(O)C(O)NC(=O)N
InChi:	InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
Synonyms:	(S)-Ureidoglycolate
Definition date:	2014-04-09
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid

2AL

2AL
Name:	1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA
Formula:	C4 H4 N4 O3
SMILES:	O=C1C(=NC(=O)N1)NC(=O)N
InChi:	InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)
Synonyms:	ALLANTOIN
Definition date:	2006-02-07
Last modified:	2021-03-01
Identifier:	1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea

2AQ

2AQ
Name:	QUINOLIN-2-AMINE
Formula:	C9 H8 N2
SMILES:	n1c(ccc2ccccc12)N
InChi:	InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
Synonyms:	2-AMINOQUINOLINE
Definition date:	2007-01-12
Last modified:	2021-03-01
Identifier:	quinolin-2-amine

2AR

2AR
Name:	2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE
Formula:	C11 H16 N5 O5 P
SMILES:	O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O
InChi:	InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1
Synonyms:	[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE
Definition date:	2000-05-04
Last modified:	2021-03-01
Identifier:	[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate

2BH

2BH
Name:	[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)
Formula:	C6 H13 B N O5
SMILES:	O=C(O)C(N)CC/C=C/[B-](O)(O)O
InChi:	InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
Synonyms:	DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
Definition date:	2004-06-15
Last modified:	2021-03-01
Identifier:	[(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-)

2BP

2BP
Name:	9H-purin-2-amine
Formula:	C5 H5 N5
SMILES:	n1cc2ncnc2nc1N
InChi:	InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
Synonyms:	2-AMINOPURINE
Definition date:	2009-02-05
Last modified:	2021-03-01
Identifier:	9H-purin-2-amine

2BT

2BT
Name:	2'-O-BUTYL-THYMIDINE
Formula:	C14 H23 N2 O9 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O
InChi:	InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1
Synonyms:	2'-O-BUTYL-5-METHYLURIDINE
Definition date:	2004-12-16
Last modified:	2021-03-01
Identifier:	2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate)

2BV

2BV
Name:	(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
Formula:	C18 H28 Cl2 N O3 P
SMILES:	Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C
InChi:	InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
Synonyms:	CGP 54626
Definition date:	2013-09-19
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid

2BX

2BX
Name:	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Formula:	C8 H15 N O3
SMILES:	O=C(O)CC1OCC(NC1)(C)C
InChi:	InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
Synonyms:	SCH50911
Definition date:	2013-09-19
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid

2CR

2CR
Name:	(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
Formula:	C28 H43 N O6
SMILES:	O=C(O)C1CCCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CC=CC2)C
InChi:	InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1
Synonyms:	Borrelidin
Definition date:	2014-03-19
Last modified:	2021-03-01
Release date:	2015-03-11
Identifier:	(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid

2ED

2ED
Name:	N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
Formula:	C20 H39 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C
InChi:	InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1
Synonyms:	C2-ceramide
Definition date:	2009-01-26
Last modified:	2021-03-01
Identifier:	N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide

2F0

2F0
Name:	2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
Formula:	C19 H21 Cl N4 O3
SMILES:	O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N
InChi:	InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
Synonyms:	P32
Definition date:	2013-10-03
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide

9PC

9PC
Name:	3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
Formula:	C14 H8 Cl F2 N3 O2 S
SMILES:	Fc3ccc(OCc1nc2cc(Cl)cnc2s1)c(F)c3C(=O)N
InChi:	InChI=1S/C14H8ClF2N3O2S/c15-6-3-8-14(19-4-6)23-10(20-8)5-22-9-2-1-7(16)11(12(9)17)13(18)21/h1-4H,5H2,(H2,18,21)
Synonyms:	PC190723
Definition date:	2012-01-27
Last modified:	2021-03-01
Identifier:	3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide

9PD

9PD
Name:	Dodecyldimethylphosphine oxide
Formula:	C14 H31 O P
SMILES:	CCCCCCCCCCCCP(=O)(C)C
InChi:	InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
Synonyms:	APO-12
Definition date:	2020-04-16
Last modified:	2021-03-01
Release date:	2020-10-28
Identifier:	dodecyl(dimethyl)oxo-lambda~5~-phosphane

9PE

9PE
Name:	(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate
Formula:	C30 H60 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCC
InChi:	InChI=1S/C30H60NO8P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m1/s1
Synonyms:	3-SN-PHOSPHATIDYLETHANOLAMINE
Definition date:	2008-04-28
Last modified:	2021-03-01
Identifier:	(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate

9PL

9PL
Name:	(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
Formula:	C11 H16 N2 O2
SMILES:	O=C2OCC(Cc1n(cnc1)C)C2CC
InChi:	InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
Synonyms:	PILOCARPINE
Definition date:	2011-07-26
Last modified:	2021-03-01
Identifier:	(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

9QY

9QY
Name:	methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
Formula:	C20 H19 Cl N2 O4
SMILES:	COC(=O)c3c(cc(c(c3CCc2nccn2Cc1ccccc1)Cl)O)O
InChi:	InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
Synonyms:	resorcinylic inhibitor BnIm
Definition date:	2017-06-01
Last modified:	2021-03-01
Release date:	2018-04-18
Identifier:	methyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate

OAL

OAL
Name:	(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
Formula:	C16 H10 O6
SMILES:	O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O
InChi:	InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)
Synonyms:	OXIDIZED ACETYL DITHRANOL
Definition date:	2002-12-12
Last modified:	2021-03-01
Identifier:	(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetic acid

OAN

OAN
Name:	O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Formula:	C15 H19 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
InChi:	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
Synonyms:	PUGNAc
Definition date:	2006-01-05
Last modified:	2021-03-01
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

9SC

9SC
Name:	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Formula:	C23 H27 Cl2 N3 O2
SMILES:	Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
InChi:	InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Synonyms:	Aripiprazole
Definition date:	2018-07-11
Last modified:	2021-03-01
Release date:	2018-10-24
Identifier:	7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1~{H}-quinolin-2-one

OBE

OBE
Name:	3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Formula:	C16 H19 N O5
SMILES:	[O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2
InChi:	InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1
Synonyms:	META-OXYBENZOYLECGONINE
Definition date:	2003-11-20
Last modified:	2021-03-01
Identifier:	(1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate

OBG

OBG
Name:	6-(benzyloxy)-9H-purin-2-amine
Formula:	C12 H11 N5 O
SMILES:	Nc1nc2[nH]cnc2c(OCc3ccccc3)n1
InChi:	InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
Synonyms:	o6-benzylguanine
Definition date:	2010-01-06
Last modified:	2021-03-01
Identifier:	6-phenylmethoxy-9H-purin-2-amine

9SR

9SR
Name:	(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
Formula:	C11 H17 N3 O8
SMILES:	N1C32C(C(N=C1N)O)C4C(CO)(C(C2O)OC(C3O)(O4)O)O
InChi:	InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1
Synonyms:	Tetrodotoxin
Definition date:	2018-07-18
Last modified:	2021-03-01
Release date:	2018-08-08
Identifier:	(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)

<698 699 700 701 702 703 704705706 707 708 709 710 711 712 713 >

245011

PDB entries from 2025-11-19

PDB statistics

PDBj update info

Contact PDBj

numon