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PDB Info pages Status search Chemie search: 44744 results BIRD

B7Y

B7Y
Name:	methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate
Formula:	C17 H22 Cl N O4
SMILES:	COC(=O)[CH](NC(=O)c1cccc(c1)C(=O)CCCCl)C(C)C
InChi:	InChI=1S/C17H22ClNO4/c1-11(2)15(17(22)23-3)19-16(21)13-7-4-6-12(10-13)14(20)8-5-9-18/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,19,21)/t15-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	methyl (2~{S})-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate

B7Z

B7Z
Name:	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Formula:	C19 H23 N7 O2
SMILES:	CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3nccc4C(=O)NC=Nc34
InChi:	InChI=1S/C19H23N7O2/c1-2-16(27)25-9-7-24(8-10-25)6-4-14-11-23-26(12-14)18-17-15(3-5-20-18)19(28)22-13-21-17/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,28)
Definition date:	2017-09-20
Last modified:	2024-09-27
Release date:	2018-05-02
Identifier:	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one

JAO

JAO
Name:	(2S)-2-methylheptadecan-1-ol
Formula:	C18 H38 O
SMILES:	OCC(CCCCCCCCCCCCCCC)C
InChi:	InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h18-19H,3-17H2,1-2H3/t18-/m0/s1
Definition date:	2013-04-10
Last modified:	2024-09-27
Release date:	2013-04-24
Identifier:	(2S)-2-methylheptadecan-1-ol

B8R

B8R
Name:	(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
Formula:	C13 H27 N3 O3
SMILES:	C(C(CCCCCCCC(N)C(=O)N(C)C)N)(=O)O
InChi:	InChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
Definition date:	2019-01-22
Last modified:	2024-09-27
Release date:	2019-02-13
Identifier:	(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid

B8Z

B8Z
Name:	~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Formula:	C20 H16 F N3 O4 S2
SMILES:	COc1cc2sc(NC(=O)c3csc(COc4ccc(F)cc4)n3)nc2cc1OC
InChi:	InChI=1S/C20H16FN3O4S2/c1-26-15-7-13-17(8-16(15)27-2)30-20(23-13)24-19(25)14-10-29-18(22-14)9-28-12-5-3-11(21)4-6-12/h3-8,10H,9H2,1-2H3,(H,23,24,25)
Definition date:	2022-03-26
Last modified:	2024-09-27
Release date:	2023-03-22
Identifier:	~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide

B92

B92
Name:	(3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Formula:	C29 H35 N5 O9
SMILES:	CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C2CCCC[CH]2N3N1C(=O)N(C[CH](CCC(O)=O)NC(=O)Cc4ccccc4)C3=O
InChi:	InChI=1S/C29H35N5O9/c1-17(35)21(15-26(39)40)31-27(41)23-14-19-9-5-6-10-22(19)33-28(42)32(29(43)34(23)33)16-20(11-12-25(37)38)30-24(36)13-18-7-3-2-4-8-18/h2-4,7-8,14,20-23H,5-6,9-13,15-16H2,1H3,(H,30,36)(H,31,41)(H,37,38)(H,39,40)/t20-,21-,22-,23-/m0/s1
Definition date:	2009-11-05
Last modified:	2024-09-27
Identifier:	(3S)-3-[[(5S,10aS)-2-[(2S)-5-hydroxy-5-oxo-2-(2-phenylethanoylamino)pentyl]-1,3-dioxo-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonylamino]-4-oxo-pentanoic acid

B93

B93
Name:	(3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Formula:	C29 H35 N7 O7
SMILES:	CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C(CC2CCCCC2)CN3N1C(=O)N(CCNC(=O)c4ccc5[nH]cnc5c4)C3=O
InChi:	InChI=1S/C29H35N7O7/c1-17(37)22(14-25(38)39)33-27(41)24-12-19(11-18-5-3-2-4-6-18)15-35-28(42)34(29(43)36(24)35)10-9-30-26(40)20-7-8-21-23(13-20)32-16-31-21/h7-8,12-13,16,18,22,24H,2-6,9-11,14-15H2,1H3,(H,30,40)(H,31,32)(H,33,41)(H,38,39)/t22-,24-/m0/s1
Definition date:	2009-11-05
Last modified:	2024-09-27
Identifier:	(3S)-3-[[(8S)-2-[2-(1H-benzimidazol-5-ylcarbonylamino)ethyl]-6-(cyclohexylmethyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-8-yl]carbonylamino]-4-oxo-pentanoic acid

JAZ

JAZ
Name:	6-PHOSPHOCYCLOPHELLITOL
Formula:	C7 H15 O9 P
SMILES:	O[CH]1[CH](O)[CH](O)[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H15O9P/c8-3-2(1-16-17(13,14)15)4(9)6(11)7(12)5(3)10/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4-,5+,6+,7-/m1/s1
Definition date:	2015-11-24
Last modified:	2024-09-27
Release date:	2016-02-17
Identifier:	[(2R,3S,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]methyl dihydrogen phosphate

B94

B94
Name:	(3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
Formula:	C26 H30 Cl N5 O9
SMILES:	CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C[CH](CCNC(=O)Cc2ccc(Cl)cc2)N3N1C(=O)N(CCCC(O)=O)C3=O
InChi:	InChI=1S/C26H30ClN5O9/c1-15(33)19(14-23(37)38)29-24(39)20-9-8-18(10-11-28-21(34)13-16-4-6-17(27)7-5-16)31-25(40)30(26(41)32(20)31)12-2-3-22(35)36/h4-9,18-20H,2-3,10-14H2,1H3,(H,28,34)(H,29,39)(H,35,36)(H,37,38)/t18-,19-,20-/m0/s1
Definition date:	2009-11-05
Last modified:	2024-09-27
Identifier:	(3S)-3-[[(5R,8S)-5-[2-[2-(4-chlorophenyl)ethanoylamino]ethyl]-2-(4-hydroxy-4-oxo-butyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-8-yl]carbonylamino]-4-oxo-pentanoic acid

B9D

B9D
Name:	5-fluoro-alpha-L-idopyranose
Formula:	C6 H11 F O6
SMILES:	FC1(OC(O)C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Definition date:	2009-08-18
Last modified:	2024-09-27
Identifier:	(2R,3R,4R,5S,6R)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

BA0

BA0
Name:	(7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C27 H31 N5 O3
SMILES:	C1CN(C(CC)=O)CCC1C3CCNc2c(C(N)=O)c(nn23)c4ccc(cc4)Oc5ccccc5
InChi:	InChI=1S/C27H31N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h3-11,18,22,29H,2,12-17H2,1H3,(H2,28,34)/t22-/m0/s1
Synonyms:	Zanubrutinib
Definition date:	2019-01-30
Last modified:	2024-09-27
Release date:	2019-10-23
Identifier:	(7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

JBY

JBY
Name:	(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid
Formula:	C14 H15 N3 O4
SMILES:	C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN
InChi:	InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1
Synonyms:	Gly-Ala-Try Chromophore
Definition date:	2018-08-29
Last modified:	2024-09-27
Release date:	2019-03-13
Identifier:	(2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid

BAA

BAA
Name:	(TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE
Formula:	C11 H21 N3 O4
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N)C)C
InChi:	InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-L-alaninamide

BAF

BAF
Name:	(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE
Formula:	C11 H21 N3 O4
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C
InChi:	InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~2~-(tert-butoxycarbonyl)-N-[(1S)-1-(formylamino)ethyl]-L-alaninamide

BAL

BAL
Name:	BETA-ALANINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)CCN
InChi:	InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	beta-alanine

BB6

BB6
Name:	(2Z)-2-amino-3-sulfanylbut-2-enoic acid
Formula:	C4 H7 N O2 S
SMILES:	O=C(O)/C(N)=C(/S)C
InChi:	InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2-
Definition date:	2009-01-15
Last modified:	2024-09-27
Identifier:	(2Z)-2-amino-3-sulfanylbut-2-enoic acid

BB7

BB7
Name:	(2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid
Formula:	C5 H9 N O3 S
SMILES:	O=C(O)/C(N)=C(/S)COC
InChi:	InChI=1S/C5H9NO3S/c1-9-2-3(10)4(6)5(7)8/h10H,2,6H2,1H3,(H,7,8)/b4-3-
Definition date:	2009-01-15
Last modified:	2024-09-27
Identifier:	(2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid

BB8

BB8
Name:	(2S,3S)-BETA-HYDROXY-PHENYLALANINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)C(O)c1ccccc1
InChi:	InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1
Synonyms:	BETA-HYDROXY-PHENYLALANINE
Definition date:	2009-01-15
Last modified:	2024-09-27
Identifier:	(betaS)-beta-hydroxy-L-phenylalanine

BB9

BB9
Name:	(2Z)-2-amino-3-sulfanylprop-2-enoic acid
Formula:	C3 H5 N O2 S
SMILES:	O=C(O)/C(N)=C/S
InChi:	InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1-
Definition date:	2009-01-15
Last modified:	2024-09-27
Identifier:	(2Z)-2-amino-3-sulfanylprop-2-enoic acid

BBC

BBC
Name:	3-[(4-AMINOBUTYL)SULFINYL]-2-IMINOPROPAN-1-OL
Formula:	C7 H16 N2 O2 S
SMILES:	O=S(CC(=[N@H])CO)CCCCN
InChi:	InChI=1S/C7H16N2O2S/c8-3-1-2-4-12(11)6-7(9)5-10/h9-10H,1-6,8H2/b9-7+/t12-/m0/s1
Definition date:	2005-05-18
Last modified:	2024-09-27
Identifier:	(2E)-3-[(S)-(4-aminobutyl)sulfinyl]-2-iminopropan-1-ol

BBL

BBL
Name:	N-[(BENZYLOXY)CARBONYL]-L-ALANINE
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC(=O)OCc1ccccc1)C
InChi:	InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
Synonyms:	N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE
Definition date:	2005-07-07
Last modified:	2024-09-27
Identifier:	N-[(benzyloxy)carbonyl]-L-alanine

BBR

BBR
Name:	(3-bromo-2-oxo-propoxy)phosphonic acid
Formula:	C3 H6 Br O5 P
SMILES:	O=P(O)(O)OCC(=O)CBr
InChi:	InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)
Definition date:	2007-10-25
Last modified:	2024-09-27
Identifier:	3-bromo-2-oxopropyl dihydrogen phosphate

BBS

BBS
Name:	4-TERT-BUTYLBENZENESULFONIC ACID
Formula:	C10 H14 O3 S
SMILES:	O=S(=O)(O)c1ccc(cc1)C(C)(C)C
InChi:	InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
Definition date:	2000-03-31
Last modified:	2024-09-27
Identifier:	4-tert-butylbenzenesulfonic acid

LGG

LGG
Name:	N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE
Formula:	C34 H51 N7 O11
SMILES:	O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O
InChi:	InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1
Definition date:	2006-10-13
Last modified:	2024-09-27
Identifier:	N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(1S)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-L-leucinamide

BCQ

BCQ
Name:	N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE
Formula:	C31 H42 N4 O8 S2
SMILES:	O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4
InChi:	InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1
Definition date:	2006-02-08
Last modified:	2024-09-27
Identifier:	N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide

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230083

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