Chemie Search results for query - 日本蛋白质结构数据库

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: 2591 results BIRD

4KZ

4KZ
Name:	N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
Formula:	C22 H23 B N4 O4
SMILES:	c3(C(=O)NC(C(=O)NC(Cc1ccccc1)B(O)O)Cc2ccccc2)cnccn3
InChi:	InChI=1S/C22H23BN4O4/c28-21(27-20(23(30)31)14-17-9-5-2-6-10-17)18(13-16-7-3-1-4-8-16)26-22(29)19-15-24-11-12-25-19/h1-12,15,18,20,30-31H,13-14H2,(H,26,29)(H,27,28)/t18-,20-/m0/s1
Definition date:	2015-04-02
Last modified:	2024-09-27
Release date:	2016-03-16
Identifier:	N-[(1R)-1-(dihydroxyboranyl)-2-phenylethyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide

4N1

4N1
Name:	4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium
Formula:	C16 H19 N4 O2 S
SMILES:	c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS
InChi:	InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1
Definition date:	2016-04-01
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium

4N2

4N2
Name:	beta-L-idopyranose
Formula:	C6 H12 O6
SMILES:	C1(OC(C(C(C1O)O)O)CO)O
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1
Synonyms:	beta-L-idose
Definition date:	2016-03-21
Last modified:	2024-09-27
Release date:	2016-06-08
Identifier:	beta-L-idopyranose

EIB

EIB
Name:	[(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
Formula:	C24 H32 O9
SMILES:	C[CH]1[CH]2[CH](CC(=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C)=O)OC(=O)C(C)=CCO
InChi:	InChI=1S/C24H32O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,15,19-22,25H,7,9,11-12H2,1-5H3/b13-8+,14-10+,18-6-/t15-,19-,20+,21+,22-/m0/s1
Synonyms:	Bound form of Eupalinolide B
Definition date:	2020-07-03
Last modified:	2024-09-27
Release date:	2022-08-24
Identifier:	[(3~{S},3~{a}~{R},4~{R},6~{Z},9~{S},10~{E},11~{a}~{R})-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3~{a},4,5,8,9,11~{a}-hexahydro-3~{H}-cyclodeca[b]furan-4-yl] (~{E})-2-methyl-4-oxidanyl-but-2-enoate

EO9

EO9
Name:	[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C9 H11 B F2 N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
InChi:	InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m1/s1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron

ERF

ERF
Name:	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid
Formula:	C7 H9 B N3 O5 P S
SMILES:	OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O
InChi:	InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15)
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2020-06-24
Identifier:	phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid

ETP

ETP
Name:	3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:	C16 H14 B N O6 S3
SMILES:	O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:	InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
Definition date:	2000-12-07
Last modified:	2024-09-27
Identifier:	[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

EWA

EWA
Name:	[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
Formula:	C11 H16 B N O5
SMILES:	O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:	InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
Definition date:	2010-07-21
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid

EWB

EWB
Name:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Formula:	C16 H19 B N O4
SMILES:	O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:	2010-07-07
Last modified:	2024-09-27
Identifier:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)

FEB

FEB
Name:	N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide
Formula:	C27 H51 N5 O7
SMILES:	O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCC)CC(=O)N)CCC(=O)N
InChi:	InChI=1S/C27H51N5O7/c1-4-5-6-7-8-9-10-11-20(34)15-25(37)31-22(16-24(29)36)27(39)32-21(12-13-23(28)35)26(38)30-19(17-33)14-18(2)3/h18-22,33-34H,4-17H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,38)(H,31,37)(H,32,39)/t19-,20+,21-,22-/m0/s1
Synonyms:	Fellutamide B, bound form
Definition date:	2008-05-29
Last modified:	2024-09-27
Identifier:	N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide

XEQ

XEQ
Name:	(3~{S},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11~{b}-hexahydrobenzo[a]quinolizin-2-one
Formula:	C19 H27 N O3
SMILES:	COc1cc2CCN3C[CH](CC(C)C)C(=O)C[CH]3c2cc1OC
InChi:	InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16+/m0/s1
Definition date:	2023-10-31
Last modified:	2024-09-20
Release date:	2024-09-25
Identifier:	(3~{S},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11~{b}-hexahydrobenzo[a]quinolizin-2-one

A1IDA

A1IDA
Name:	5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine
Formula:	C16 H12 N4 S
SMILES:	Cn1ccc(n1)c2ccc3scc(c4ccncc4)c3n2
InChi:	InChI=1S/C16H12N4S/c1-20-9-6-14(19-20)13-2-3-15-16(18-13)12(10-21-15)11-4-7-17-8-5-11/h2-10H,1H3
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

A1IDB

A1IDB
Name:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine
Formula:	C16 H12 N4 S
SMILES:	Cn1cc(cn1)c2ccc3scc(c4ccncc4)c3n2
InChi:	InChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

A1IDF

A1IDF
Name:	~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
Formula:	C17 H15 N5 S
SMILES:	Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1
InChi:	InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine

ZT3

ZT3
Name:	N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide
Formula:	C25 H28 N4 O
SMILES:	CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2ccc(C)c(C)c21
InChi:	InChI=1S/C25H28N4O/c1-16-8-13-21-22(17(16)2)29(15-18-7-6-14-26-23(18)28-21)24(30)27-20-11-9-19(10-12-20)25(3,4)5/h6-14H,15H2,1-5H3,(H,26,28)(H,27,30)
Definition date:	2023-07-03
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide

O94

O94
Name:	2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
Formula:	C19 H19 F N4 O2
SMILES:	Oc1ccc2c([nH]nc2[CH]3CCCN(C3)C(=O)Cc4ccc(F)cc4)n1
InChi:	InChI=1S/C19H19FN4O2/c20-14-5-3-12(4-6-14)10-17(26)24-9-1-2-13(11-24)18-15-7-8-16(25)21-19(15)23-22-18/h3-8,13H,1-2,9-11H2,(H2,21,22,23,25)/t13-/m0/s1
Definition date:	2023-08-22
Last modified:	2024-08-23
Release date:	2024-08-28
Identifier:	2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone

KIX

KIX
Name:	1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine
Formula:	C8 H10 B O3
SMILES:	O[B]1(O)OCCc2ccccc12
InChi:	InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2
Synonyms:	3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol
Definition date:	2023-08-14
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine

K7R

K7R
Name:	1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone
Formula:	C17 H18 N4 O S
SMILES:	O=C(Cc1cscc1)N2CCC[CH](C2)c3[nH]nc4ncccc34
InChi:	InChI=1S/C17H18N4OS/c22-15(9-12-5-8-23-11-12)21-7-2-3-13(10-21)16-14-4-1-6-18-17(14)20-19-16/h1,4-6,8,11,13H,2-3,7,9-10H2,(H,18,19,20)/t13-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone

A1H8B

A1H8B
Name:	(3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione
Formula:	C26 H21 F2 N5 O2
SMILES:	Nc1ccc2[nH]c(CN3C(=O)c4cc(F)ccc4[C]35CCN(Cc6ccc(F)cc6)C5=O)cc2n1
InChi:	InChI=1S/C26H21F2N5O2/c27-16-3-1-15(2-4-16)13-32-10-9-26(25(32)35)20-6-5-17(28)11-19(20)24(34)33(26)14-18-12-22-21(30-18)7-8-23(29)31-22/h1-8,11-12,30H,9-10,13-14H2,(H2,29,31)/t26-/m0/s1
Definition date:	2024-04-12
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione

XD8

XD8
Name:	(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
Formula:	C21 H23 Cl N8 S
SMILES:	N[CH]1c2cccnc2CC13CCN(CC3)c4cnc(Sc5ccnc(N)c5Cl)c(N)n4
InChi:	InChI=1S/C21H23ClN8S/c22-16-14(3-7-27-18(16)24)31-20-19(25)29-15(11-28-20)30-8-4-21(5-9-30)10-13-12(17(21)23)2-1-6-26-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1
Definition date:	2023-11-02
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

Y7K

Y7K
Name:	(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol
Formula:	C22 H41 N3 O8
SMILES:	CC1OC2OC3C(OC2(O)C(O)(CNCCC2CCOCC2)C1)C(NC)C(O)C(NC)C3O
InChi:	InChI=1S/C22H41N3O8/c1-12-10-21(28,11-25-7-4-13-5-8-30-9-6-13)22(29)20(31-12)32-19-17(27)14(23-2)16(26)15(24-3)18(19)33-22/h12-20,23-29H,4-11H2,1-3H3/t12-,14-,15+,16+,17+,18-,19-,20+,21-,22-/m1/s1
Definition date:	2023-11-26
Last modified:	2024-08-02
Release date:	2024-08-07
Identifier:	(2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol

VZO

VZO
Name:	N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide
Formula:	C27 H34 N8 O3
SMILES:	COCCNc1cc(NC(=O)c2cn(C(C)C)c3cc(CN4CCN(C)CC4)c(C=O)nc23)ncc1C#N
InChi:	InChI=1S/C27H34N8O3/c1-18(2)35-16-21(27(37)32-25-12-22(29-5-10-38-4)20(13-28)14-30-25)26-24(35)11-19(23(17-36)31-26)15-34-8-6-33(3)7-9-34/h11-12,14,16-18H,5-10,15H2,1-4H3,(H2,29,30,32,37)
Definition date:	2023-09-07
Last modified:	2024-07-26
Release date:	2024-07-31
Identifier:	~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide

A1H8F

A1H8F
Name:	N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide
Formula:	C18 H24 Cl N3 O
SMILES:	CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23
InChi:	InChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23)
Definition date:	2024-04-15
Last modified:	2024-07-19
Release date:	2024-07-24
Identifier:	~{N}-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide

A1APV

A1APV
Name:	Naloxone
Formula:	C19 H21 N O4
SMILES:	O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54
InChi:	InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
Synonyms:	3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one
Definition date:	2024-04-26
Last modified:	2024-07-12
Release date:	2024-07-17
Identifier:	3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one

VDC

VDC
Name:	N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C24 H26 F N5 O4
SMILES:	FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O
InChi:	InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16-,18+,23-,24-/m0/s1
Definition date:	2023-09-11
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

<10 11 12 13 14 15 161718 19 20 21 22 23 24 25 >

238582

数据于2025-07-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon