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: 44013 results BIRD

OYK

OYK
Name:	~{N},9-dimethylpurin-6-amine
Formula:	C7 H9 N5
SMILES:	CNc1ncnc2n(C)cnc12
InChi:	InChI=1S/C7H9N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h3-4H,1-2H3,(H,8,9,10)
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	~{N},9-dimethylpurin-6-amine

OYN

OYN
Name:	2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine
Formula:	C6 H6 Cl N5
SMILES:	CNc1nc(Cl)nc2[nH]cnc12
InChi:	InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine

OYT

OYT
Name:	9-cyclopropyl-~{N}-methyl-purin-6-amine
Formula:	C9 H11 N5
SMILES:	CNc1ncnc2n(cnc12)C3CC3
InChi:	InChI=1S/C9H11N5/c1-10-8-7-9(12-4-11-8)14(5-13-7)6-2-3-6/h4-6H,2-3H2,1H3,(H,10,11,12)
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	9-cyclopropyl-~{N}-methyl-purin-6-amine

OYZ

OYZ
Name:	(2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid
Formula:	C26 H24 N4 O3
SMILES:	CCOc1ccccc1c2ccc(cc2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N
InChi:	InChI=1S/C26H24N4O3/c1-3-33-23-7-5-4-6-19(23)17-8-10-18(11-9-17)24-21(14-27)25(29-16(2)26(31)32)20-12-13-28-15-22(20)30-24/h4-11,13,16H,3,12,15H2,1-2H3,(H,29,30)(H,31,32)/t16-/m1/s1
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid

OZ5

OZ5
Name:	(2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
Formula:	C26 H21 F N4 O2
SMILES:	CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O
InChi:	InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid

OZ8

OZ8
Name:	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
Formula:	C20 H25 N3 O2
SMILES:	O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc4ccccc4
InChi:	InChI=1S/C20H25N3O2/c24-20-15-18(22-9-11-25-12-10-22)14-19(21-20)23-8-4-7-17(23)13-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m1/s1
Definition date:	2020-04-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one

P4Z

P4Z
Name:	(2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
Formula:	C25 H19 Cl F N5 O
SMILES:	CC[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(Cl)c4F)c1C#N)C(N)=O
InChi:	InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1
Definition date:	2020-04-15
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide

U3A

U3A
Name:	5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide
Formula:	C20 H17 F3 N4 O4
SMILES:	C=2(NC(c1ccccc1C(F)(F)F)=NC(C=2O)=O)C(NCCc3ccnc(c3)OC)=O
InChi:	InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-4-2-3-5-13(12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30)
Definition date:	2020-04-10
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide

TK8

TK8
Name:	D-xylonic acid
Formula:	C5 H10 O6
SMILES:	OC[CH](O)[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1
Synonyms:	(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid
Definition date:	2020-12-23
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid

U8W

U8W
Name:	(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid
Formula:	C6 H15 O11 P S
SMILES:	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1
Definition date:	2021-02-03
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid

U8Z

U8Z
Name:	[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
Formula:	C3 H7 O6 P
SMILES:	OCC(O)=CO[P](O)(O)=O
InChi:	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+
Definition date:	2021-02-03
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate

UFY

UFY
Name:	N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
Formula:	C19 H25 B N4 O4
SMILES:	c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O
InChi:	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
Definition date:	2020-05-15
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide

UKS

UKS
Name:	[(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
Formula:	C20 H27 B N4 O4
SMILES:	C(CCC)(NC(c1cnccn1)=O)C(=O)NC(B(O)O)CCCc2ccccc2
InChi:	InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1
Definition date:	2020-05-20
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	[(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid

VFP

VFP
Name:	6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
Formula:	C20 H17 N3 O4
SMILES:	c21occc1c(ncc2)Oc3ccc(c(c3)C)C4=C(C(NC(N4C)=O)=O)C
InChi:	InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)
Definition date:	2020-08-10
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione

VWP

VWP
Name:	N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide
Formula:	C29 H40 N8 O4
SMILES:	C1(C=CCN1C(Cc2cccc3c2cccc3)=O)C(NC(C(=O)NC(C(=O)N)CCCNC(=N)N)CCCCN)=O
InChi:	InChI=1S/C29H40N8O4/c30-15-4-3-12-23(27(40)35-22(26(31)39)13-6-16-34-29(32)33)36-28(41)24-14-7-17-37(24)25(38)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,7-11,14,22-24H,3-4,6,12-13,15-18,30H2,(H2,31,39)(H,35,40)(H,36,41)(H4,32,33,34)/t22-,23-,24-/m0/s1
Definition date:	2020-09-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide

V22

V22
Name:	~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide
Formula:	C25 H29 N6 O2
SMILES:	O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)C4=CC(=O)[n]5ccccc5N4
InChi:	InChI=1S/C25H29N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)(H,29,32)
Definition date:	2021-04-07
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide

XBM

XBM
Name:	N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide
Formula:	C20 H23 Cl2 N3 O5 S
SMILES:	C(C(NC(C(C)C)C(NO)=O)=O)(Cc1ccccc1)NS(=O)(=O)c2cc(cc(c2)Cl)Cl
InChi:	InChI=1S/C20H23Cl2N3O5S/c1-12(2)18(20(27)24-28)23-19(26)17(8-13-6-4-3-5-7-13)25-31(29,30)16-10-14(21)9-15(22)11-16/h3-7,9-12,17-18,25,28H,8H2,1-2H3,(H,23,26)(H,24,27)/t17-,18-/m0/s1
Definition date:	2020-12-08
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide

XC1

XC1
Name:	N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide
Formula:	C17 H25 Cl2 N3 O5 S
SMILES:	C(C(CC)C)(C(=O)NC(C(=O)NO)CCC)NS(c1cc(cc(c1)Cl)Cl)(=O)=O
InChi:	InChI=1S/C17H25Cl2N3O5S/c1-4-6-14(16(23)21-25)20-17(24)15(10(3)5-2)22-28(26,27)13-8-11(18)7-12(19)9-13/h7-10,14-15,22,25H,4-6H2,1-3H3,(H,20,24)(H,21,23)/t10-,14-,15-/m0/s1
Definition date:	2020-12-09
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide

XQV

XQV
Name:	N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide
Formula:	C21 H19 N5 O
SMILES:	c1(cccc(NC(CC)=O)c1)Nc3nn4cccc(c2ccccc2)c4n3
InChi:	InChI=1S/C21H19N5O/c1-2-19(27)22-16-10-6-11-17(14-16)23-21-24-20-18(12-7-13-26(20)25-21)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,27)(H,23,25)
Definition date:	2021-01-06
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	N-{3-[(8-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]phenyl}propanamide

NNA

NNA
Name:	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C36 H63 N5 O7 S
SMILES:	O=C(N3C(C(=O)NC(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(C)C
InChi:	InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1
Synonyms:	Narlaprevir, bound form
Definition date:	2010-03-09
Last modified:	2021-04-06
Identifier:	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

YK1

YK1
Name:	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
Formula:	C23 H22 F4 N6 O2
SMILES:	FC(F)(F)c1cccc(F)c1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC
InChi:	InChI=1S/C23H22F4N6O2/c1-33-7-6-12-9-18(35-2)17(8-13(12)11-33)30-22-29-10-14(20(28)34)21(32-22)31-19-15(23(25,26)27)4-3-5-16(19)24/h3-5,8-10H,6-7,11H2,1-2H3,(H2,28,34)(H2,29,30,31,32)
Definition date:	2021-03-11
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

YK4

YK4
Name:	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
Formula:	C22 H23 Br N6 O2
SMILES:	Brc1ccccc1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC
InChi:	InChI=1S/C22H23BrN6O2/c1-29-8-7-13-10-19(31-2)18(9-14(13)12-29)27-22-25-11-15(20(24)30)21(28-22)26-17-6-4-3-5-16(17)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28)
Definition date:	2021-03-11
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

YK7

YK7
Name:	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
Formula:	C22 H24 N6 O2
SMILES:	NC(=O)c1cnc(nc1Nc1ccccc1)Nc1cc2CN(C)CCc2cc1OC
InChi:	InChI=1S/C22H24N6O2/c1-28-9-8-14-11-19(30-2)18(10-15(14)13-28)26-22-24-12-17(20(23)29)21(27-22)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,29)(H2,24,25,26,27)
Definition date:	2021-03-11
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide

Y3G

Y3G
Name:	5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:	C6 H4 N2 O2
SMILES:	C#CC=1C(NC(NC=1)=O)=O
InChi:	InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
Definition date:	2021-02-01
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	5-ethynylpyrimidine-2,4(1H,3H)-dione

Y49

Y49
Name:	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid
Formula:	C19 H13 N5 O4
SMILES:	NC(=O)c1nc(nc2N(C(=O)Nc12)c3ccccc3)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C19H13N5O4/c20-15(25)13-14-17(24(19(28)22-14)12-4-2-1-3-5-12)23-16(21-13)10-6-8-11(9-7-10)18(26)27/h1-9H,(H2,20,25)(H,22,28)(H,26,27)
Definition date:	2020-04-08
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7~{H}-purin-2-yl)benzoic acid

<449 450 451 452 453 454 455456457 458 459 460 461 462 463 464 >

225158

数据于2024-09-18公开中

PDB statistics

PDBj update info

Contact PDBj

numon