Chemie Search results for query - 日本蛋白質結構資料庫

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: 36426 results BIRD

OV4

OV4
Name:	2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
Formula:	C23 H23 N5 O
SMILES:	CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChi:	InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide

OV9

OV9
Name:	2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
Formula:	C7 H5 N5 O3
SMILES:	NC1=Nc2nc(cnc2C(=O)N1)C(O)=O
InChi:	InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
Definition date:	2023-02-14
Last modified:	2023-11-03
Release date:	2023-09-20
Identifier:	2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid

OVF

OVF
Name:	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
Formula:	C23 H22 Cl N5 O
SMILES:	CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21
InChi:	InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide

OVX

OVX
Name:	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
Formula:	C20 H16 Cl N3 O2
SMILES:	O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:	InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one

OWC

OWC
Name:	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
Formula:	C20 H17 Cl N2 O
SMILES:	Clc1cccc(c1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:	InChI=1S/C20H17ClN2O/c21-16-7-3-6-14(11-16)18-9-4-10-23(20(18)24)19-13-22-12-15-5-1-2-8-17(15)19/h1-3,5-8,11-13,18H,4,9-10H2/t18-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one

OWX

OWX
Name:	2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide
Formula:	C16 H16 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2NCCCc12
InChi:	InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1,3-4,7,9-10,19H,2,5-6,8H2,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide

OXJ

OXJ
Name:	1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
Formula:	C10 H9 F6 N
SMILES:	CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3
Definition date:	2019-07-15
Last modified:	2023-11-03
Release date:	2019-12-11
Identifier:	1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine

OYF

OYF
Name:	(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C18 H14 Cl N3 O2
SMILES:	Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21
InChi:	InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

OYX

OYX
Name:	N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
Formula:	C24 H28 N2 O S
SMILES:	O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1
InChi:	InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide

OZC

OZC
Name:	(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
Formula:	C20 H17 Cl N2 O
SMILES:	Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:	InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one

OZW

OZW
Name:	phenylhydrazinyl phenylalanine
Formula:	C15 H17 N3 O2
SMILES:	N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O
InChi:	InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1
Definition date:	2020-04-13
Last modified:	2023-11-03
Release date:	2020-07-22
Identifier:	(2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid

OZX

OZX
Name:	2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1
InChi:	InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide

P0X

P0X
Name:	4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H16 Cl N3 O3
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:	InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one

7ID

7ID
Name:	(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
Formula:	C10 H19 N5 O5
SMILES:	O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
InChi:	InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
Definition date:	2021-08-11
Last modified:	2023-11-03
Release date:	2021-08-18
Identifier:	L-beta-aspartyl-L-arginine

P1V

P1V
Name:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
Formula:	C9 H16 N4 O2
SMILES:	Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:	InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
Definition date:	2022-09-29
Last modified:	2023-11-03
Release date:	2023-01-11
Identifier:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid

P2Q

P2Q
Name:	2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine
Formula:	C20 H22 N2 O6
SMILES:	N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1
Synonyms:	3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
Definition date:	2009-11-10
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid

P3L

P3L
Name:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H17 Cl N2 O3
SMILES:	O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

P3Q

P3Q
Name:	2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
Formula:	C21 H24 N2 O5
SMILES:	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
Definition date:	2009-11-19
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid

AGQ

AGQ
Name:	3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
Formula:	C10 H13 N5 O4
SMILES:	O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N
InChi:	InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1
Definition date:	2010-05-17
Last modified:	2023-11-03
Identifier:	3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

7MD

7MD
Name:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
Formula:	C17 H27 N8 O9 P
SMILES:	O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1
Definition date:	2011-09-11
Last modified:	2023-11-03
Identifier:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine

7N8

7N8
Name:	4-Borono-L-phenylalanine
Formula:	C9 H12 B N O4
SMILES:	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-11-24
Last modified:	2023-11-03
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

AJE

AJE
Name:	(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid
Formula:	C9 H14 N2 O5
SMILES:	O=C(N1CC(C(=O)O)C(N)C1)CCC(=O)O
InChi:	InChI=1S/C9H14N2O5/c10-6-4-11(3-5(6)9(15)16)7(12)1-2-8(13)14/h5-6H,1-4,10H2,(H,13,14)(H,15,16)/t5-,6-/m0/s1
Definition date:	2015-02-04
Last modified:	2023-11-03
Release date:	2015-09-09
Identifier:	(3S,4R)-4-amino-1-(3-carboxypropanoyl)pyrrolidine-3-carboxylic acid

00I

00I
Name:	N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
Formula:	C30 H35 N5 O6 S
SMILES:	O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4
InChi:	InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1
Definition date:	2010-10-19
Last modified:	2023-11-03
Identifier:	N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine

01B

01B
Name:	(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
Formula:	C10 H13 N O3
SMILES:	O=C(O)C(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
Definition date:	2010-06-18
Last modified:	2023-11-03
Identifier:	(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid

02V

02V
Name:	(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(c1cc(O)c(O)cc1)NC
InChi:	InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2011-06-10
Last modified:	2023-11-03
Identifier:	(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid

<86 87 88 89 90 91 929394 95 96 97 98 99 100 101 >

222415

數據於2024-07-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon