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: 2510 results BIRD

EO1

EO1
Name:	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C25 H23 N7 O2
SMILES:	c6(c(c1c(OC)cc5c(c1)nc2c5c(nc(n2)C)Nc4c3c(cccc3)n(C)n4)c(C)no6)C
InChi:	InChI=1S/C25H23N7O2/c1-12-21(13(2)34-31-12)17-10-18-16(11-20(17)33-5)22-24(28-18)26-14(3)27-25(22)29-23-15-8-6-7-9-19(15)32(4)30-23/h6-11H,1-5H3,(H2,26,27,28,29,30)
Definition date:	2018-01-24
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine

EO4

EO4
Name:	N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
Formula:	C24 H25 N7 O2
SMILES:	c1(c(C)noc1C)c2cc6c(cc2OC)c5c(nc(nc5Nc3n(nc(c3)C4CC4)C)C)n6
InChi:	InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
Definition date:	2018-01-24
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine

FUV

FUV
Name:	(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
Formula:	C23 H28 Cl N3 O7
SMILES:	C(C5C(C(C(C(N1CCN(CC1)C=4c2c(ccc(c2)Cl)OC3C(CC=CC3)N=4)O5)O)O)O)(=O)O
InChi:	InChI=1S/C23H28ClN3O7/c24-12-5-6-15-13(11-12)21(25-14-3-1-2-4-16(14)33-15)26-7-9-27(10-8-26)22-19(30)17(28)18(29)20(34-22)23(31)32/h1-2,5-6,11,14,16-20,22,28-30H,3-4,7-10H2,(H,31,32)/t14-,16-,17+,18+,19-,20+,22-/m1/s1
Definition date:	2018-04-19
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine

FYY

FYY
Name:	2-aminoethyl (4-bromophenyl)phenylborinate
Formula:	C14 H15 B Br N O
SMILES:	B(c1ccc(Br)cc1)(c2ccccc2)OCCN
InChi:	InChI=1S/C14H15BBrNO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9H,10-11,17H2
Definition date:	2018-04-26
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-aminoethyl (4-bromophenyl)phenylborinate

FZ4

FZ4
Name:	2-aminoethyl diphenylborinate
Formula:	C14 H16 B N O
SMILES:	B(c1ccccc1)(c2ccccc2)OCCN
InChi:	InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
Definition date:	2018-04-26
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-aminoethyl diphenylborinate

K70

K70
Name:	10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
Formula:	C19 H16 N3 O2 S
SMILES:	C(=O)(NO)c4ccc(C[n+]3c1ccccc1sc2cccnc23)cc4
InChi:	InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,25H,12H2,(H-,21,23,24)/p+1
Definition date:	2017-06-17
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium

A4E

A4E
Name:	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
Formula:	C30 H43 F N5 O3
SMILES:	C[CH]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[CH](C[NH2+]1)CN5CCOC[CH]5C
InChi:	InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1
Definition date:	2017-08-14
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone

EFV

EFV
Name:	{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile
Formula:	C19 H16 N6 O3
SMILES:	COc1c(ncc(c1)c3ccc2C(N(Cc2n3)c4cn(nc4)CC#N)=O)OC
InChi:	InChI=1S/C19H16N6O3/c1-27-17-7-12(8-21-18(17)28-2)15-4-3-14-16(23-15)11-25(19(14)26)13-9-22-24(10-13)6-5-20/h3-4,7-10H,6,11H2,1-2H3
Definition date:	2018-01-09
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	{4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile

X30

X30
Name:	11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Formula:	C32 H40 N8 O3
SMILES:	N1(CCN(CC1)C6CCN(C(=O)c2ccc(c(c2)OC)Nc3nc4c(cn3)N(C(c5c(N4CC)cccc5)=O)C)CC6)C
InChi:	InChI=1S/C32H40N8O3/c1-5-40-26-9-7-6-8-24(26)31(42)37(3)27-21-33-32(35-29(27)40)34-25-11-10-22(20-28(25)43-4)30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)
Definition date:	2017-06-15
Last modified:	2018-06-15
Release date:	2018-06-20
Identifier:	11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

9LQ

9LQ
Name:	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
Formula:	C21 H24 B N3 O4 S
SMILES:	OB(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34
InChi:	InChI=1S/C21H24BN3O4S/c26-22(27)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)30(28,29)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-27H,4,11-14,16H2
Definition date:	2017-06-02
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid

C8W

C8W
Name:	4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid
Formula:	C20 H19 N5 O5 S
SMILES:	COc1ccc(cc1OCCCC(O)=O)c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23
InChi:	InChI=1S/C20H19N5O5S/c1-29-11-5-4-9(7-12(11)30-6-2-3-13(26)27)14-10(8-21)18(23)25-20-15(14)16(22)17(31-20)19(24)28/h4-5,7H,2-3,6,22H2,1H3,(H2,23,25)(H2,24,28)(H,26,27)
Definition date:	2017-11-23
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid

9JA

9JA
Name:	(~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
Formula:	C17 H18 B F3 N3 O6 S
SMILES:	CC[S](=O)(=O)N1NCc2ccc(Oc3ccc(cc3C=NO)C(F)(F)F)cc2[B]1(O)O
InChi:	InChI=1S/C17H18BF3N3O6S/c1-2-31(28,29)24-18(25,26)15-8-14(5-3-11(15)9-22-24)30-16-6-4-13(17(19,20)21)7-12(16)10-23-27/h3-8,10,22,25-27H,2,9H2,1H3/b23-10+
Definition date:	2017-05-15
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine

9JJ

9JJ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C35 H37 B F3 N7 O17 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O[B]6(O)OCc7ccc(Oc8ccc(cc8)C(F)(F)F)cc67
InChi:	InChI=1S/C35H36BF3N7O17P2/c37-35(38,39)19-4-7-20(8-5-19)59-21-6-3-18-12-56-36(51,22(18)10-21)62-29-27(48)24(61-34(29)45-9-1-2-17(11-45)31(41)50)14-58-65(54,55)63-64(52,53)57-13-23-26(47)28(49)33(60-23)46-16-44-25-30(40)42-15-43-32(25)46/h1-11,15-16,23-24,26-29,33-34,47-49,51H,12-14H2,(H5-,40,41,42,43,50,52,53,54,55)/p+1/t23-,24-,26-,27-,28-,29-,33-,34-/m1/s1
Definition date:	2017-05-15
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

9JM

9JM
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C36 H38 B N9 O18 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O[B]6(O)OCc7cc(Oc8ccc(cc8C=NO)C#N)ccc67
InChi:	InChI=1S/C36H37BN9O18P2/c38-10-18-3-6-24(20(8-18)11-44-52)60-22-4-5-23-21(9-22)13-57-37(23,51)63-31-29(48)26(62-36(31)45-7-1-2-19(12-45)33(40)50)15-59-66(55,56)64-65(53,54)58-14-25-28(47)30(49)35(61-25)46-17-43-27-32(39)41-16-42-34(27)46/h1-9,11-12,16-17,25-26,28-31,35-36,47-49,51H,13-15H2,(H6-,39,40,41,42,50,52,53,54,55,56)/p+1/b44-11+/t25-,26-,28-,29-,30-,31-,35-,36-/m1/s1
Definition date:	2017-05-15
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

9GS

9GS
Name:	5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide
Formula:	C29 H33 N5 O4 S
SMILES:	c1(ccc(cc1)CNC(=O)N4CC2(CCCC2)c3nc(ccc34)c5c(OC)ncnc5C6CC6)S(CC)(=O)=O
InChi:	InChI=1S/C29H33N5O4S/c1-3-39(36,37)21-10-6-19(7-11-21)16-30-28(35)34-17-29(14-4-5-15-29)26-23(34)13-12-22(33-26)24-25(20-8-9-20)31-18-32-27(24)38-2/h6-7,10-13,18,20H,3-5,8-9,14-17H2,1-2H3,(H,30,35)
Definition date:	2017-05-10
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide

FYV

FYV
Name:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
Formula:	C11 H8 N4
SMILES:	c1cc(ccn1)c2n3c(nc2)cccn3
InChi:	InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H
Definition date:	2018-04-26
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine

B6T

B6T
Name:	8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile
Formula:	C16 H14 N4 O
SMILES:	CC(C)c1c(O)c2ncc(C#N)n2nc1c3ccccc3
InChi:	InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-20-12(8-17)9-18-16(20)15(13)21/h3-7,9-10,21H,1-2H3
Definition date:	2017-09-19
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile

BJ5

BJ5
Name:	desferrioxamine B
Formula:	C25 H45 Fe N6 O8
SMILES:	CC(=O)[N]1CCCCCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(CCCCCN)O[Fe](O1)O2
InChi:	InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26
Definition date:	2017-10-05
Last modified:	2018-04-27
Release date:	2018-05-02

CG7

CG7
Name:	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid
Formula:	C26 H18 Cl N3 O4
SMILES:	OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O
InChi:	InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30)
Definition date:	2017-09-21
Last modified:	2018-04-20
Release date:	2018-04-25
Identifier:	5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid

RFH

RFH
Name:	(1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate
Formula:	C43 H58 N4 O13
SMILES:	O=C(N)C(=[C@H][C@H]=[C@H]C(C)C(O)C(C)C(C(C)C(C(C)C(C=COC1(C(c2c(O1)c(c(c3c2C(=O)C(=C(O)C3=O)[C@H]=NN4CCN(CC4)C)O)C)=O)C)OC)OC(=O)C)O)C
InChi:	InChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/b12-11+,19-14+,22-13+,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1
Definition date:	2018-01-25
Last modified:	2018-04-13
Release date:	2018-04-18
Identifier:	(1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate

CJ7

CJ7
Name:	8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Formula:	C17 H20 F N5 S
SMILES:	c1c2c(ccc1F)n(C)c3nc(nnc23)SCCN4CCCCC4
InChi:	InChI=1S/C17H20FN5S/c1-22-14-6-5-12(18)11-13(14)15-16(22)19-17(21-20-15)24-10-9-23-7-3-2-4-8-23/h5-6,11H,2-4,7-10H2,1H3
Definition date:	2017-09-25
Last modified:	2018-03-29
Release date:	2018-04-04
Identifier:	8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole

F6J

F6J
Name:	2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Formula:	C24 H22 N2 O2
SMILES:	CC(Cc1c(ccc(c1)c2cnc3ncc(cc23)c4ccccc4)C(O)=O)C
InChi:	InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28)
Definition date:	2018-03-05
Last modified:	2018-03-29
Release date:	2018-04-04
Identifier:	2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid

F0Y

F0Y
Name:	methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate
Formula:	C24 H28 N6 O2
SMILES:	C(=O)(N1CCC(CC1)Cc4cc(C(Nc2nc3c(n2)ccc(n3)C)CC#N)ccc4)OC
InChi:	InChI=1S/C24H28N6O2/c1-16-6-7-21-22(26-16)29-23(28-21)27-20(8-11-25)19-5-3-4-18(15-19)14-17-9-12-30(13-10-17)24(31)32-2/h3-7,15,17,20H,8-10,12-14H2,1-2H3,(H2,26,27,28,29)/t20-/m1/s1
Definition date:	2018-02-23
Last modified:	2018-03-29
Release date:	2018-04-04
Identifier:	methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate

E1N

E1N
Name:	12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
Formula:	C19 H22 Cl N2
SMILES:	CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2
InChi:	InChI=1S/C19H21ClN2/c1-3-11-6-12-8-13(7-11)18-17(9-12)22(2)16-10-14(20)4-5-15(16)19(18)21/h4-6,10,12-13,21H,3,7-9H2,1-2H3/p+1/t12-,13+/m0/s1
Definition date:	2018-02-09
Last modified:	2018-03-23
Release date:	2018-03-28

DKP

DKP
Name:	2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
Formula:	C18 H17 Cl N2 O3
SMILES:	c3cccc(C(c1nc2c(c1)nccc2C(=O)O)OCCC)c3Cl
InChi:	InChI=1S/C18H17ClN2O3/c1-2-9-24-17(11-5-3-4-6-13(11)19)15-10-14-16(21-15)12(18(22)23)7-8-20-14/h3-8,10,17,21H,2,9H2,1H3,(H,22,23)/t17-/m1/s1
Definition date:	2017-10-30
Last modified:	2018-03-23
Release date:	2018-03-28
Identifier:	2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid

<53 54 55 56 57 58 596061 62 63 64 65 66 67 68 >

224931

数据于2024-09-11公开中

PDB statistics

PDBj update info

Contact PDBj

numon