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: 44295 results BIRD

VTA

VTA
Name:	4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile
Formula:	C20 H15 F2 N3 O
SMILES:	c4(c1cc(C#N)ccc1OC2CC2c3ccc(cc3F)F)cc(C)nn4
InChi:	InChI=1S/C20H15F2N3O/c1-11-6-18(25-24-11)16-7-12(10-23)2-5-19(16)26-20-9-15(20)14-4-3-13(21)8-17(14)22/h2-8,15,20H,9H2,1H3,(H,24,25)/t15-,20-/m1/s1
Definition date:	2020-09-11
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile

VTD

VTD
Name:	3-(3-chlorophenyl)-5-methyl-1H-pyrazole
Formula:	C10 H9 Cl N2
SMILES:	c1(cc(C)nn1)c2cc(ccc2)Cl
InChi:	InChI=1S/C10H9ClN2/c1-7-5-10(13-12-7)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)
Definition date:	2020-09-11
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	3-(3-chlorophenyl)-5-methyl-1H-pyrazole

OWT

OWT
Name:	~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
Formula:	C45 H55 F N10 O13
SMILES:	CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)COCCOCCn4cc(CNC(=O)[CH](CCCCNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2
InChi:	InChI=1S/C45H55FN10O13/c1-28(57)48-24-31-26-56(45(66)69-31)30-11-12-36(34(46)22-30)53-14-16-54(17-15-53)39(60)27-68-21-20-67-19-18-55-25-29(51-52-55)23-49-44(65)35(50-43(64)33-7-5-10-38(59)41(33)62)8-2-3-13-47-42(63)32-6-4-9-37(58)40(32)61/h4-7,9-12,22,25,31,35,58-59,61-62H,2-3,8,13-21,23-24,26-27H2,1H3,(H,47,63)(H,48,57)(H,49,65)(H,50,64)/t31?,35-/m0/s1
Definition date:	2020-04-06
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	~{N}-[(5~{S})-6-[[1-[2-[2-[2-[4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methylamino]-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide

QZV

QZV
Name:	2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid
Formula:	C46 H40 N2 O10
SMILES:	c6c(C#Cc2c(CC(O)=O)c1c(ccc(C)c1)o2)ccc(C(NCCOCCOCCNC(=O)c3ccc(cc3)C#Cc4oc5c(c4CC(O)=O)cc(cc5)C)=O)c6
InChi:	InChI=1S/C46H40N2O10/c1-29-3-15-39-35(25-29)37(27-43(49)50)41(57-39)17-9-31-5-11-33(12-6-31)45(53)47-19-21-55-23-24-56-22-20-48-46(54)34-13-7-32(8-14-34)10-18-42-38(28-44(51)52)36-26-30(2)4-16-40(36)58-42/h3-8,11-16,25-26H,19-24,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)
Definition date:	2020-01-20
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid

FKC

FKC
Name:	(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Formula:	C28 H48 O3
SMILES:	C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O
InChi:	InChI=1S/C28H48O3/c1-18(6-11-25(29)30)22-9-10-23-21-8-7-20-16-19(17-26(2,3)31)12-14-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3,(H,29,30)/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1
Definition date:	2020-05-29
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid

FKF

FKF
Name:	(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Formula:	C28 H48 O3
SMILES:	C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O
InChi:	InChI=1S/C28H48O3/c1-18(6-11-25(29)30)22-9-10-23-21-8-7-20-16-19(17-26(2,3)31)12-14-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3,(H,29,30)/t18-,19+,20-,21+,22-,23+,24+,27+,28-/m1/s1
Definition date:	2020-05-29
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(4~{R})-4-[(3~{S},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid

FYG

FYG
Name:	(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
Formula:	C7 H11 N3 O6 S
SMILES:	C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O
InChi:	InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
Synonyms:	Avibactam
Definition date:	2018-04-25
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide

FZA

FZA
Name:	(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Formula:	C21 H21 N3 O3
SMILES:	c1ccc5c(c1OC)C(N4C(c2c(c3c(n2)cccc3OC)CC4)N5C)=O
InChi:	InChI=1S/C21H21N3O3/c1-23-14-7-5-9-16(27-3)18(14)21(25)24-11-10-12-17-13(22-19(12)20(23)24)6-4-8-15(17)26-2/h4-9,20,22H,10-11H2,1-3H3/t20-/m0/s1
Definition date:	2018-04-27
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one

EOO

EOO
Name:	(1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Formula:	C19 H22 N2 O5
SMILES:	COC(=O)N1CCCc2cc(NC(=O)[CH]3CC=CC[CH]3C(O)=O)ccc12
InChi:	InChI=1S/C19H22N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1
Definition date:	2020-01-17
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	(1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

ERR

ERR
Name:	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
Formula:	C24 H22 N4 O3
SMILES:	COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc5n(C)ccc5c4
InChi:	InChI=1S/C24H22N4O3/c1-27-10-8-16-11-15(5-6-19(16)27)18-14-23-25-9-7-20(28(23)26-18)17-12-21(29-2)24(31-4)22(13-17)30-3/h5-14H,1-4H3
Definition date:	2020-01-21
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

ERX

ERX
Name:	2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
Formula:	C22 H21 N3 O3
SMILES:	COc1cc(cc(OC)c1OC)c2ccnc3cc(nn23)c4ccc(C)cc4
InChi:	InChI=1S/C22H21N3O3/c1-14-5-7-15(8-6-14)17-13-21-23-10-9-18(25(21)24-17)16-11-19(26-2)22(28-4)20(12-16)27-3/h5-13H,1-4H3
Definition date:	2020-01-21
Last modified:	2021-01-15
Release date:	2021-01-20
Identifier:	2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

WQY

WQY
Name:	1-(quinolin-3-yl)methanamine
Formula:	C10 H10 N2
SMILES:	n2c1ccccc1cc(CN)c2
InChi:	InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(quinolin-3-yl)methanamine

WRD

WRD
Name:	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
Formula:	C10 H13 N O
SMILES:	NC2CCCc1c(cccc12)O
InChi:	InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

WRJ

WRJ
Name:	2H-1-benzopyran-3-carboxamide
Formula:	C10 H9 N O2
SMILES:	c1cccc2c1C=C(C(=O)N)CO2
InChi:	InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2H-1-benzopyran-3-carboxamide

WRM

WRM
Name:	2-(1H-benzimidazol-1-yl)-N-methylacetamide
Formula:	C10 H11 N3 O
SMILES:	n1(CC(=O)NC)cnc2ccccc12
InChi:	InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-(1H-benzimidazol-1-yl)-N-methylacetamide

WRV

WRV
Name:	N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
Formula:	C11 H15 F N2 O2
SMILES:	N(C(C)CO)C(Nc1ccc(c(c1)F)C)=O
InChi:	InChI=1S/C11H15FN2O2/c1-7-3-4-9(5-10(7)12)14-11(16)13-8(2)6-15/h3-5,8,15H,6H2,1-2H3,(H2,13,14,16)/t8-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea

WRY

WRY
Name:	7-fluoro-N,2-dimethylquinoline-3-carboxamide
Formula:	C12 H11 F N2 O
SMILES:	N(C)C(=O)c2cc1ccc(F)cc1nc2C
InChi:	InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7-fluoro-N,2-dimethylquinoline-3-carboxamide

WS4

WS4
Name:	N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C11 H11 N3 O2
SMILES:	n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C
InChi:	InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide

T3Z

T3Z
Name:	(R)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
Synonyms:	~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-14
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{R})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

WSG

WSG
Name:	N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
Formula:	C12 H12 F N3 O
SMILES:	n2(CC)ncc(NC(=O)c1ccc(cc1)F)c2
InChi:	InChI=1S/C12H12FN3O/c1-2-16-8-11(7-14-16)15-12(17)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3,(H,15,17)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide

WSJ

WSJ
Name:	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide
Formula:	C12 H15 N3 O3 S
SMILES:	N1(C(C)=C(NS(=O)(=O)C)C(N1c2ccccc2)=O)C
InChi:	InChI=1S/C12H15N3O3S/c1-9-11(13-19(3,17)18)12(16)15(14(9)2)10-7-5-4-6-8-10/h4-8,13H,1-3H3
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide

WSM

WSM
Name:	4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one
Formula:	C11 H14 N2 O2
SMILES:	NCCCN2c1c(cccc1)OCC2=O
InChi:	InChI=1S/C11H14N2O2/c12-6-3-7-13-9-4-1-2-5-10(9)15-8-11(13)14/h1-2,4-5H,3,6-8,12H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one

WSY

WSY
Name:	3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid
Formula:	C7 H11 N3 O2
SMILES:	n1(CCC(=O)O)c(C)nc(n1)C
InChi:	InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid

XLP

XLP
Name:	1,3-benzothiazole-6-carboxylic acid
Formula:	C8 H5 N O2 S
SMILES:	n1csc2cc(C(O)=O)ccc12
InChi:	InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)
Definition date:	2020-12-18
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1,3-benzothiazole-6-carboxylic acid

XLV

XLV
Name:	3,4-dimethyl-1,2-oxazol-5-amine
Formula:	C5 H8 N2 O
SMILES:	n1oc(N)c(C)c1C
InChi:	InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3
Definition date:	2020-12-18
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3,4-dimethyl-1,2-oxazol-5-amine

<713 714 715 716 717 718 719720721 722 723 724 725 726 727 728 >

244693

数据于2025-11-12公开中

PDB statistics

PDBj update info

Contact PDBj

numon