Chemie Search results for query - Protein Data Bank Japan

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: 27516 results BIRD

A1ABA

A1ABA
Name:	[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol
Formula:	C12 H14 F3 N O2
SMILES:	FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1
InChi:	InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol

A1ABB

A1ABB
Name:	(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid
Formula:	C9 H6 O3 S
SMILES:	OC(=O)c1ccc(s1)c1occc1
InChi:	InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(5P)-5-(furan-2-yl)thiophene-2-carboxylic acid

A1ABE

A1ABE
Name:	(3M)-3-(furan-2-yl)benzoic acid
Formula:	C11 H8 O3
SMILES:	O=C(O)c1cccc(c1)c1ccco1
InChi:	InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(3M)-3-(furan-2-yl)benzoic acid

A1ABF

A1ABF
Name:	4-[(pyridin-2-yl)oxy]benzonitrile
Formula:	C12 H8 N2 O
SMILES:	N#Cc1ccc(cc1)Oc1ccccn1
InChi:	InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	4-[(pyridin-2-yl)oxy]benzonitrile

A1ABQ

A1ABQ
Name:	(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
Formula:	C10 H11 F N2 S
SMILES:	CC1CN=C(Nc2ccc(F)cc2)S1
InChi:	InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

A1ABR

A1ABR
Name:	(3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile
Formula:	C10 H7 N O2
SMILES:	O=C1c2ccccc2OCC1C#N
InChi:	InChI=1S/C10H7NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,7H,6H2/t7-/m1/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(3R)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbonitrile

A1ABU

A1ABU
Name:	1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Formula:	C13 H17 N3 O
SMILES:	O=C1NCN(c2ccccc2)C21CCNCC2
InChi:	InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

A1ABV

A1ABV
Name:	(4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Formula:	C11 H15 N O3 S
SMILES:	CC(C)N1CC(O)c2ccccc2S1(=O)=O
InChi:	InChI=1S/C11H15NO3S/c1-8(2)12-7-10(13)9-5-3-4-6-11(9)16(12,14)15/h3-6,8,10,13H,7H2,1-2H3/t10-/m1/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(4S)-4-hydroxy-2-(propan-2-yl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione

A1ABY

A1ABY
Name:	1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one
Formula:	C15 H20 N2 O3
SMILES:	CC(=O)N1CC(Oc2ccccn2)C2CC1CCC2O
InChi:	InChI=1S/C15H20N2O3/c1-10(18)17-9-14(20-15-4-2-3-7-16-15)12-8-11(17)5-6-13(12)19/h2-4,7,11-14,19H,5-6,8-9H2,1H3/t11-,12-,13+,14-/m0/s1
Definition date:	2024-01-04
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	1-{(1S,4R,5S,6R)-6-hydroxy-4-[(pyridin-2-yl)oxy]-2-azabicyclo[3.3.1]nonan-2-yl}ethan-1-one

A1ACE

A1ACE
Name:	(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Formula:	C35 H39 N O6
SMILES:	Nc1cccc(c1)Cc1ccc(cc1)C1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO
InChi:	InChI=1S/C35H39NO6/c1-33-13-12-25(38)16-23(33)10-11-26-27-17-30-35(29(40)19-37,34(27,2)18-28(39)31(26)33)42-32(41-30)22-8-6-20(7-9-22)14-21-4-3-5-24(36)15-21/h3-9,12-13,15-16,26-28,30-32,37,39H,10-11,14,17-19,36H2,1-2H3/t26-,27-,28+,30+,31+,32+,33-,34-,35+/m0/s1
Definition date:	2024-01-11
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

A1ACJ

A1ACJ
Name:	(2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Formula:	C17 H15 Br N4 O6
SMILES:	O=C(Nc1conc1)C=1N=C(c2cccc(Br)c2OCCO)N(C)C(=O)C=1O
InChi:	InChI=1S/C17H15BrN4O6/c1-22-15(10-3-2-4-11(18)14(10)27-6-5-23)21-12(13(24)17(22)26)16(25)20-9-7-19-28-8-9/h2-4,7-8,23-24H,5-6H2,1H3,(H,20,25)
Definition date:	2024-01-12
Last modified:	2024-01-19
Release date:	2024-01-24
Identifier:	(2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide

JTI

JTI
Name:	2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
Formula:	C21 H23 Cl N4 O3
SMILES:	COCCn1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13
InChi:	InChI=1S/C21H23ClN4O3/c1-28-11-10-26-20-12-16(22)4-7-19(20)25-21(26)24-13-17(27)14-29-18-5-2-15(3-6-18)8-9-23/h2-7,12,17,27H,8,10-11,13-14H2,1H3,(H,24,25)/t17-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

JVO

JVO
Name:	2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
Formula:	C21 H23 Cl N4 O2
SMILES:	CC(C)n1c(NC[CH](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13
InChi:	InChI=1S/C21H23ClN4O2/c1-14(2)26-20-11-16(22)5-8-19(20)25-21(26)24-12-17(27)13-28-18-6-3-15(4-7-18)9-10-23/h3-8,11,14,17,27H,9,12-13H2,1-2H3,(H,24,25)/t17-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile

7PN

7PN
Name:	N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide
Formula:	C19 H14 F N O
SMILES:	Fc1ccc(cc1)C(=O)Nc2ccc3CCc4cccc2c34
InChi:	InChI=1S/C19H14FNO/c20-15-9-6-14(7-10-15)19(22)21-17-11-8-13-5-4-12-2-1-3-16(17)18(12)13/h1-3,6-11H,4-5H2,(H,21,22)
Definition date:	2023-03-06
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	~{N}-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide

7Q0

7Q0
Name:	N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide
Formula:	C19 H15 F N2 O
SMILES:	Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23
InChi:	InChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23)
Definition date:	2023-03-06
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	~{N}-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide

98I

98I
Name:	~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Formula:	C49 H59 N7 O7 S
SMILES:	CC(C)c1ccccc1[CH]2CCCN2C3CC4(CCN(CC4)c5ccc(C(=O)N[S](=O)(=O)c6ccc(NC[CH]7CC[C](C)(O)CC7)c(c6)[N](=O)=O)c(Oc8cnc9[nH]ccc9c8)c5)C3
InChi:	InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33-,43-,48-/m0/s1
Definition date:	2022-01-11
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

A1H02

A1H02
Name:	2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide
Formula:	C19 H24 Cl N5 O3 S
SMILES:	CN1CCC[CH](C1)NC(=O)CN2N=C(n3c(cc4sc(Cl)cc34)C2=O)C(C)(C)O
InChi:	InChI=1S/C19H24ClN5O3S/c1-19(2,28)18-22-24(10-16(26)21-11-5-4-6-23(3)9-11)17(27)13-7-14-12(25(13)18)8-15(20)29-14/h7-8,11,28H,4-6,9-10H2,1-3H3,(H,21,26)
Definition date:	2023-12-20
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide

7S8

7S8
Name:	[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
Formula:	C10 H14 N5 O5 P Se
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3
InChi:	InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21+/m0/s1
Definition date:	2023-03-09
Last modified:	2024-01-11
Release date:	2024-01-10
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid

8H2

8H2
Name:	[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
Formula:
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3
InChi:	InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21-/m0/s1
Definition date:	2023-03-28
Last modified:	2024-01-11
Release date:	2024-01-10
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid

JQJ

JQJ
Name:	Polyoxidovanadate complex
Formula:	O54 V20
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]1O[V](O[V]2O[V]O2)O[V]3O[V]4O[V]5O[V]6O[V](O[V])O[V]7(O[V]8O[V]O[V](O6)O[V]9O[V](O9)O[V](O8)O[V](O1)(O3)O[V](O4)O7)O5
InChi:	InChI=1S/26H2O.28O.20V/h26*1H2
Definition date:	2023-08-08
Last modified:	2024-01-05
Release date:	2024-01-10

7Q6

7Q6
Name:	[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H16 N5 O12 P3 Se
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:	InChI=1S/C10H16N5O12P3Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-30(23,31)27-29(21,22)26-28(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,31)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,30+/m0/s1
Definition date:	2023-03-08
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate

8EB

8EB
Name:	[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate
Formula:	C10 H15 N5 O9 P2 Se
SMILES:	NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(O)=O)O3)c2N1
InChi:	InChI=1S/C10H15N5O9P2Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(23-6)2-22-26(21,27)24-25(18,19)20/h3-6,16H,1-2H2,(H,21,27)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,26+/m0/s1
Definition date:	2023-03-28
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate

978

978
Name:	~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
Formula:	C19 H15 N3 O5
SMILES:	Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3oc(cc3)[N](=O)=O)cc2
InChi:	InChI=1S/C19H15N3O5/c1-12-3-2-4-13(11-12)18(23)20-14-5-7-15(8-6-14)21-19(24)16-9-10-17(27-16)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
Definition date:	2023-07-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide

KSB

KSB
Name:	lambda-[Ru(tap2-dppz-CN)]2+
Formula:	C39 H21 N13 Ru
SMILES:	N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1
InChi:	InChI=1S/C19H9N5.2C10H6N4.Ru/c20-10-11-5-6-14-15(9-11)24-19-13-4-2-8-22-17(13)16-12(18(19)23-14)3-1-7-21-16
Synonyms:	Cyano-derivative of Ruthenium-dipyridophenazine
Definition date:	2016-08-23
Last modified:	2024-01-03
Release date:	2018-01-17

9SZ

9SZ
Name:	(1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene
Formula:	C42 H32 O8 P2
SMILES:	O[P](O)(=O)Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18
InChi:	InChI=1S/C42H32O8P2/c43-51(44,45)49-41-37-33-15-34(30-12-26-22-9-21(25(26)11-29(30)33)17-5-1-2-6-18(17)22)38(37)42(50-52(46,47)48)40-36-16-35(39(40)41)31-13-27-23-10-24(28(27)14-32(31)36)20-8-4-3-7-19(20)23/h1-8,11-14,21-24,33-36H,9-10,15-16H2,(H2,43,44,45)(H2,46,47,48)/t21-,22+,23+,24-,33-,34+,35+,36-
Definition date:	2017-07-10
Last modified:	2024-01-03
Release date:	2017-07-26

<147 148 149 150 151 152 153154155 156 157 158 159 160 161 162 >

226262

PDB entries from 2024-10-16

PDB statistics

PDBj update info

Contact PDBj

numon