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YK8

YK8
Name:	20alpha-hydroxy-20-(5-methylhexyl)cholesterol
Formula:	C28 H48 O2
SMILES:	CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
Definition date:	2020-11-17
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol

WOY

WOY
Name:	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
Formula:	C6 H7 N3
SMILES:	n2c1NCCc1cnc2
InChi:	InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)
Definition date:	2020-11-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

XLP

XLP
Name:	1,3-benzothiazole-6-carboxylic acid
Formula:	C8 H5 N O2 S
SMILES:	n1csc2cc(C(O)=O)ccc12
InChi:	InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)
Definition date:	2020-12-18
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1,3-benzothiazole-6-carboxylic acid

XLV

XLV
Name:	3,4-dimethyl-1,2-oxazol-5-amine
Formula:	C5 H8 N2 O
SMILES:	n1oc(N)c(C)c1C
InChi:	InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3
Definition date:	2020-12-18
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3,4-dimethyl-1,2-oxazol-5-amine

XLY

XLY
Name:	(3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Formula:	C10 H12 N2 O
SMILES:	N2C(c1ccccc1NCC2C)=O
InChi:	InChI=1S/C10H12N2O/c1-7-6-11-9-5-3-2-4-8(9)10(13)12-7/h2-5,7,11H,6H2,1H3,(H,12,13)
Definition date:	2020-12-18
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one

XM4

XM4
Name:	N-(4-chloro-2-methylphenyl)acetamide
Formula:	C9 H10 Cl N O
SMILES:	N(c1ccc(cc1C)Cl)C(C)=O
InChi:	InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
Definition date:	2020-12-18
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(4-chloro-2-methylphenyl)acetamide

VR4

VR4
Name:	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide
Formula:	C29 H38 N4 O6
SMILES:	C(c1ccccc1)OC(NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=O)CC(C)C)=O
InChi:	InChI=1S/C29H38N4O6/c1-19(2)15-24(33-29(38)39-18-21-11-7-4-8-12-21)27(36)32-23(16-22-13-14-30-26(22)35)25(34)28(37)31-17-20-9-5-3-6-10-20/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25+/m0/s1
Synonyms:	GC376 alpha-ketoamide analog (bound form)
Definition date:	2020-09-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide

VR7

VR7
Name:	2-hydroxy-5-(thiophen-3-yl)benzoic acid
Formula:	C11 H8 O3 S
SMILES:	c1c(ccc(c1C(O)=O)O)c2ccsc2
InChi:	InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
Definition date:	2020-09-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-hydroxy-5-(thiophen-3-yl)benzoic acid

WPS

WPS
Name:	5-amino-3-methyl-1H-pyrazole-4-carbonitrile
Formula:	C5 H6 N4
SMILES:	n1nc(c(C#N)c1N)C
InChi:	InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-amino-3-methyl-1H-pyrazole-4-carbonitrile

WPV

WPV
Name:	1-(5-bromopyridin-3-yl)methanamine
Formula:	C6 H7 Br N2
SMILES:	n1cc(cc(c1)Br)CN
InChi:	InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(5-bromopyridin-3-yl)methanamine

WPY

WPY
Name:	N-(1,3-thiazol-2-yl)acetamide
Formula:	C5 H6 N2 O S
SMILES:	n1c(NC(=O)C)scc1
InChi:	InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(1,3-thiazol-2-yl)acetamide

WQ1

WQ1
Name:	(4-methylpyridin-3-yl)methanol
Formula:	C7 H9 N O
SMILES:	n1cc(CO)c(cc1)C
InChi:	InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(4-methylpyridin-3-yl)methanol

WQ4

WQ4
Name:	5-amino-2-methyl-1,3-oxazole-4-carbonitrile
Formula:	C5 H5 N3 O
SMILES:	N#Cc1c(oc(n1)C)N
InChi:	InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-amino-2-methyl-1,3-oxazole-4-carbonitrile

WQ7

WQ7
Name:	1-(2-aminoethyl)pyridin-2(1H)-one
Formula:	C7 H10 N2 O
SMILES:	NCCN1C(C=CC=C1)=O
InChi:	InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(2-aminoethyl)pyridin-2(1H)-one

WQA

WQA
Name:	2H-pyrazolo[3,4-b]pyridin-5-amine
Formula:	C6 H6 N4
SMILES:	n1c2c(cc(N)c1)cnn2
InChi:	InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2H-pyrazolo[3,4-b]pyridin-5-amine

WQG

WQG
Name:	quinazolin-4(3H)-one
Formula:	C8 H6 N2 O
SMILES:	N2C=Nc1c(cccc1)C2=O
InChi:	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	quinazolin-4(3H)-one

WQJ

WQJ
Name:	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
Formula:	C8 H10 N2 O
SMILES:	Nc2cnc1CCOCc1c2
InChi:	InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

WQM

WQM
Name:	(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide
Formula:	C7 H8 N2 O2
SMILES:	N(C)C(=O)C1C=CC(N=C1)=O
InChi:	InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-5H,1H3,(H,8,11)/t5-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide

GZ9

GZ9
Name:	(2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C30 H41 N3 O5
SMILES:	Cc1nc(NC(=O)NC2CCCCC2)c(C)c([CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C
InChi:	InChI=1S/C30H41N3O5/c1-17-21-13-10-16-37-23(21)15-14-22(17)25-19(3)31-27(33-29(36)32-20-11-8-7-9-12-20)18(2)24(25)26(28(34)35)38-30(4,5)6/h14-15,20,26H,7-13,16H2,1-6H3,(H,34,35)(H2,31,32,33,36)/t26-/m0/s1
Definition date:	2020-10-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2~{S})-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

WQV

WQV
Name:	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide
Formula:	C7 H7 Br N2 O2
SMILES:	N1C(=O)C(NC(=O)C)=CC(=C1)Br
InChi:	InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide

WQY

WQY
Name:	1-(quinolin-3-yl)methanamine
Formula:	C10 H10 N2
SMILES:	n2c1ccccc1cc(CN)c2
InChi:	InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(quinolin-3-yl)methanamine

WRD

WRD
Name:	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol
Formula:	C10 H13 N O
SMILES:	NC2CCCc1c(cccc12)O
InChi:	InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

WRJ

WRJ
Name:	2H-1-benzopyran-3-carboxamide
Formula:	C10 H9 N O2
SMILES:	c1cccc2c1C=C(C(=O)N)CO2
InChi:	InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2H-1-benzopyran-3-carboxamide

WRM

WRM
Name:	2-(1H-benzimidazol-1-yl)-N-methylacetamide
Formula:	C10 H11 N3 O
SMILES:	n1(CC(=O)NC)cnc2ccccc12
InChi:	InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14)
Definition date:	2020-11-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-(1H-benzimidazol-1-yl)-N-methylacetamide

W9D

W9D
Name:	5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one
Formula:	C24 H22 N6 O4
SMILES:	c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5
InChi:	InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1
Definition date:	2020-10-01
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one

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