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V4Y

V4Y
Name:	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C25 H27 N5 O
SMILES:	c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V54

V54
Name:	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C23 H23 N5 O
SMILES:	c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V57

V57
Name:	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C24 H24 N4 O
SMILES:	c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N
InChi:	InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V5D

V5D
Name:	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:	C26 H29 N5 O
SMILES:	c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N
InChi:	InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine

V5G

V5G
Name:	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine
Formula:	C23 H22 N4 O
SMILES:	c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27)
Definition date:	2020-06-26
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine

AF6

AF6
Name:	N-benzyl-9H-beta-carbolin-3-amine
Formula:	C18 H15 N3
SMILES:	c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:	InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
Definition date:	2018-11-01
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-benzyl-9H-beta-carbolin-3-amine

TDB

TDB
Name:	6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL
Formula:	C9 H13 B N2 O3 S2
SMILES:	O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC
InChi:	InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3
Synonyms:	Diazaborine
Definition date:	1999-07-08
Last modified:	2021-06-23
Identifier:	6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol

XHD

XHD
Name:	2-cyanoacetamide
Formula:	C3 H4 N2 O
SMILES:	N#CCC(N)=O
InChi:	InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	2-cyanoacetamide

XHG

XHG
Name:	1-[(2R)-oxolan-2-yl]methanamine
Formula:	C5 H11 N O
SMILES:	NCC1OCCC1
InChi:	InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(2R)-oxolan-2-yl]methanamine

XHJ

XHJ
Name:	(3S)-pyrazolidin-3-amine
Formula:	C3 H9 N3
SMILES:	NC1NNCC1
InChi:	InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-pyrazolidin-3-amine

WAM

WAM
Name:	2-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide
Formula:	C20 H19 N2 O3
SMILES:	C[n+]1c(cc(c2c1cccc2)C(=O)N)[C@H]=[C@H]c3cc(OC)c(cc3)O
InChi:	InChI=1S/C20H18N2O3/c1-22-14(9-7-13-8-10-18(23)19(11-13)25-2)12-16(20(21)24)15-5-3-4-6-17(15)22/h3-12H,1-2H3,(H2,21,24)/p+1
Definition date:	2020-10-05
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	4-carbamoyl-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium

WBJ

WBJ
Name:	(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
Formula:	C12 H15 N2 O7 P
SMILES:	Cc1c(c(C/N=C(/C(O)=O)C=C)c(COP(O)(O)=O)cn1)O
InChi:	InChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/b14-10+
Definition date:	2020-10-08
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid

XJJ

XJJ
Name:	piperazin-2-one
Formula:	C4 H8 N2 O
SMILES:	O=C1NCCNC1
InChi:	InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	piperazin-2-one

WC4

WC4
Name:	(1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol
Formula:	C16 H19 O8 P
SMILES:	COc3c(C1C(C(C(COP(O)(=O)O)O1)O)O)cc2c(cccc2)c3
InChi:	InChI=1S/C16H19O8P/c1-22-12-7-10-5-3-2-4-9(10)6-11(12)16-15(18)14(17)13(24-16)8-23-25(19,20)21/h2-7,13-18H,8H2,1H3,(H2,19,20,21)/t13-,14-,15-,16+/m1/s1
Definition date:	2020-10-12
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol

XJM

XJM
Name:	5-methyl-1H-tetrazole
Formula:	C2 H4 N4
SMILES:	Cc1nnnn1
InChi:	InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-methyl-1H-tetrazole

WC7

WC7
Name:	6-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]thieno[2,3-c]pyridine-7(6H)-thione
Formula:	C12 H14 N O6 P S2
SMILES:	C1=Cc3c(C(N1C2OC(C(C2)O)COP(=O)(O)O)=S)scc3
InChi:	InChI=1S/C12H14NO6PS2/c14-8-5-10(19-9(8)6-18-20(15,16)17)13-3-1-7-2-4-22-11(7)12(13)21/h1-4,8-10,14H,5-6H2,(H2,15,16,17)/t8-,9+,10+/m0/s1
Definition date:	2020-10-12
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)thieno[2,3-c]pyridine-7(6H)-thione

XJP

XJP
Name:	(2S,4R)-1,3-thiazolidine-2,4-diamine
Formula:	C3 H9 N3 S
SMILES:	NC1NC(SC1)N
InChi:	InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2S,4R)-1,3-thiazolidine-2,4-diamine

XJV

XJV
Name:	imidazolidin-2-one
Formula:	C3 H6 N2 O
SMILES:	O=C1NCCN1
InChi:	InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	imidazolidin-2-one

WCG

WCG
Name:	(1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol
Formula:	C16 H21 O14 P3
SMILES:	COc2cc1ccccc1cc2C3C(C(C(COP(=O)(O)OP(O)(=O)OP(O)(O)=O)O3)O)O
InChi:	InChI=1S/C16H21O14P3/c1-26-12-7-10-5-3-2-4-9(10)6-11(12)16-15(18)14(17)13(28-16)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-7,13-18H,8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t13-,14-,15-,16+/m1/s1
Definition date:	2020-10-13
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol

XJY

XJY
Name:	cyclobutylboronic acid
Formula:	C4 H9 B O2
SMILES:	OB(O)C1CCC1
InChi:	InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	cyclobutylboronic acid

XK1

XK1
Name:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine
Formula:	C4 H10 N2 O
SMILES:	NCC1NCOC1
InChi:	InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine

XK4

XK4
Name:	(3R)-1,2-oxazolidin-3-amine
Formula:	C3 H8 N2 O
SMILES:	NC1NOCC1
InChi:	InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-1,2-oxazolidin-3-amine

XK7

XK7
Name:	1-aminocyclopropane-1-carboxamide
Formula:	C4 H8 N2 O
SMILES:	NC(=O)C1(CC1)N
InChi:	InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-aminocyclopropane-1-carboxamide

XKD

XKD
Name:	N-methyl-D-alaninamide
Formula:	C4 H10 N2 O
SMILES:	CNC(=O)C(C)N
InChi:	InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-methyl-D-alaninamide

XKS

XKS
Name:	azetidin-3-ol
Formula:	C3 H7 N O
SMILES:	OC1CNC1
InChi:	InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
Definition date:	2020-12-18
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	azetidin-3-ol

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