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QP9

QP9
Name:	(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C20 H22 N4 O5
SMILES:	O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1
InChi:	InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid

QPL

QPL
Name:	(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C19 H17 N3 O5
SMILES:	O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1
InChi:	InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid

QPX

QPX
Name:	(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C19 H17 N3 O5
SMILES:	O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1
InChi:	InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid

RI3

RI3
Name:	(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid
Formula:	C18 H16 F2 N4 O2
SMILES:	O=C(O)C1(F)CN(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C18H16F2N4O2/c19-10-3-4-11-13(5-10)23-15-14(11)16(22-8-21-15)24-6-12(9-1-2-9)18(20,7-24)17(25)26/h3-5,8-9,12H,1-2,6-7H2,(H,25,26)(H,21,22,23)/t12-,18-/m0/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid

QQ9

QQ9
Name:	(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
Formula:	C14 H15 N3 O3
SMILES:	O=C(c1ccnc2[NH]ccc21)N1CCCC(C1)C(=O)O
InChi:	InChI=1S/C14H15N3O3/c18-13(17-7-1-2-9(8-17)14(19)20)11-4-6-16-12-10(11)3-5-15-12/h3-6,9H,1-2,7-8H2,(H,15,16)(H,19,20)/t9-/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid

QQI

QQI
Name:	(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C20 H20 N4 O5
SMILES:	O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1
InChi:	InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

RIK

RIK
Name:	3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid
Formula:	C17 H17 F N4 O3
SMILES:	O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H17FN4O3/c18-10-1-3-12-13(7-10)21-16-15(12)17(20-9-19-16)22-5-6-25-11(8-22)2-4-14(23)24/h1,3,7,9,11H,2,4-6,8H2,(H,23,24)(H,19,20,21)/t11-/m1/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid

QQR

QQR
Name:	(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C20 H20 N4 O5
SMILES:	O=C(Nc1ccc(cn1)C(=O)NC1c2cccc(O)c2CC1C(=O)O)NC1CC1
InChi:	InChI=1S/C20H20N4O5/c25-15-3-1-2-12-13(15)8-14(19(27)28)17(12)24-18(26)10-4-7-16(21-9-10)23-20(29)22-11-5-6-11/h1-4,7,9,11,14,17,25H,5-6,8H2,(H,24,26)(H,27,28)(H2,21,22,23,29)/t14-,17+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

RIW

RIW
Name:	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one
Formula:	C14 H12 F N5 O
SMILES:	Fc1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O
InChi:	InChI=1S/C14H12FN5O/c15-8-3-4-9-10(6-8)18-13-12(9)14(17-7-16-13)19-20-5-1-2-11(20)21/h3-4,6-7H,1-2,5H2,(H2,16,17,18,19)
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one

QR0

QR0
Name:	(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C20 H18 N4 O4
SMILES:	O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(Nn2ccnc2)cc1
InChi:	InChI=1S/C20H18N4O4/c25-17-3-1-2-14-15(17)10-16(20(27)28)18(14)22-19(26)12-4-6-13(7-5-12)23-24-9-8-21-11-24/h1-9,11,16,18,23,25H,10H2,(H,22,26)(H,27,28)/t16-,18+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid

RIZ

RIZ
Name:	(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
Formula:	C17 H17 F N4 O2
SMILES:	O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m1/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid

QR6

QR6
Name:	(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C21 H20 Cl N3 O5
SMILES:	O=C(NC1CC1)Nc1ccc(c(Cl)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:	InChI=1S/C21H20ClN3O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

RJ9

RJ9
Name:	(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
Formula:	C17 H17 F N4 O2
SMILES:	O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m0/s1
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid

QRC

QRC
Name:	(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:	C19 H19 N3 O5
SMILES:	CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:	InChI=1S/C19H19N3O5/c1-20-19(27)21-11-7-5-10(6-8-11)17(24)22-16-12-3-2-4-15(23)13(12)9-14(16)18(25)26/h2-8,14,16,23H,9H2,1H3,(H,22,24)(H,25,26)(H2,20,21,27)/t14-,16+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid

2I7

2I7
Name:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol
Formula:	C25 H30 N4 O4
SMILES:	Cc1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1ncccn1
InChi:	InChI=1S/C25H30N4O4/c1-16-8-19(25-26-6-3-7-27-25)11-20(9-16)28-12-17-4-2-5-18(10-17)13-29-14-22(31)24(33)23(32)21(29)15-30/h2-11,21-24,28,30-33H,12-15H2,1H3/t21-,22+,23-,24-/m1/s1
Definition date:	2021-06-28
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol

7Z8

7Z8
Name:	N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide
Formula:	C16 H33 N O6
SMILES:	CCCCCCCCC(=O)N(C)C[CH](O)[CH](O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1
Synonyms:	MEGA-9
Definition date:	2022-03-02
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-methyl-~{N}-[(2~{S},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide

9FF

9FF
Name:	1H-indole-2-carbaldehyde
Formula:	C9 H7 N O
SMILES:	O=Cc1[nH]c2ccccc2c1
InChi:	InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
Definition date:	2022-03-11
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	1~{H}-indole-2-carbaldehyde

3IQ

3IQ
Name:	(3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium
Formula:	C13 H16 N3
SMILES:	CC1C=C(C[NH2+]C1)c1c[NH]c2ncccc21
InChi:	InChI=1S/C13H15N3/c1-9-5-10(7-14-6-9)12-8-16-13-11(12)3-2-4-15-13/h2-5,8-9,14H,6-7H2,1H3,(H,15,16)/p+1/t9-/m1/s1
Definition date:	2021-07-06
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium

3YJ

3YJ
Name:	11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide
Formula:	C33 H53 N O3
SMILES:	CCCN(C)C(=O)CCCCCCCCCCC1Cc2cc(O)ccc2C2CCC3(C)C(CCC3O)C21
InChi:	InChI=1S/C33H53NO3/c1-4-21-34(3)31(37)14-12-10-8-6-5-7-9-11-13-24-22-25-23-26(35)15-16-27(25)28-19-20-33(2)29(32(24)28)17-18-30(33)36/h15-16,23-24,28-30,32,35-36H,4-14,17-22H2,1-3H3/t24-,28-,29+,30+,32-,33+/m1/s1
Definition date:	2021-07-07
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide

C7I

C7I
Name:	(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
Formula:	C11 H14 Cl N O3
SMILES:	Clc1ccc(cc1)C(CCO)CC(=O)NO
InChi:	InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m1/s1
Definition date:	2021-06-07
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide

C8I

C8I
Name:	(3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
Formula:	C11 H14 Cl N O3
SMILES:	Clc1ccc(cc1)C(CCO)CC(=O)NO
InChi:	InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m0/s1
Definition date:	2021-06-07
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide

4IL

4IL
Name:	13-Oxofumitremorgin B
Formula:	C27 H31 N3 O5
SMILES:	COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)C(=O)c23
InChi:	InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1
Synonyms:	(1R,12S,15S)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione
Definition date:	2022-02-02
Last modified:	2022-07-01
Release date:	2022-07-06

7QC

7QC
Name:	4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile
Formula:	C20 H20 N4 O2
SMILES:	COc1cc(CN)cc(OC)c1c2ncn(C)c2c3ccc(cc3)C#N
InChi:	InChI=1S/C20H20N4O2/c1-24-12-23-19(20(24)15-6-4-13(10-21)5-7-15)18-16(25-2)8-14(11-22)9-17(18)26-3/h4-9,12H,11,22H2,1-3H3
Definition date:	2021-10-13
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile

G4R

G4R
Name:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide
Formula:	C27 H40 N6 O3
SMILES:	CC(C)N1CCC(Nc2nc(NC(=O)C=C)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:	InChI=1S/C27H40N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h5,17-20H,1,6-16H2,2-4H3,(H2,28,29,30,31,34)
Definition date:	2021-12-16
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide

GCI

GCI
Name:	N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
Formula:	C34 H38 N6 O9 S2
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCN4CCOCC4)cc3)c5ccccc25
InChi:	InChI=1S/C34H38N6O9S2/c1-48-25-8-12-27(13-9-25)51(46,47)40(23-33(36)42)31-15-14-30(28-4-2-3-5-29(28)31)39(22-32(35)41)50(44,45)26-10-6-24(7-11-26)37-34(43)16-17-38-18-20-49-21-19-38/h2-15H,16-23H2,1H3,(H2,35,41)(H2,36,42)(H,37,43)
Definition date:	2022-05-06
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide

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