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PDB Info pages Status search Chemie search: 44101 results BIRD

A01

A01
Name:	[(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C10 H15 B N O6
SMILES:	COc1cccc(OC)c1C(=O)NC[B-](O)(O)O
InChi:	InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2024-09-27
Identifier:	[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron

A0A

A0A
Name:	(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACID
Formula:	C5 H7 N O5
SMILES:	O=C(OC=O)CC(C(=O)O)N
InChi:	InChI=1S/C5H7NO5/c6-3(5(9)10)1-4(8)11-2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
Definition date:	2007-12-11
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(formyloxy)-4-oxobutanoic acid (non-preferred name)

A0G

A0G
Name:	(2Z)-2-amino-3-hydroxyprop-2-enoic acid
Formula:	C3 H5 N O3
SMILES:	C(=O)(/C(N)=C/O)O
InChi:	InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1,5H,4H2,(H,6,7)/b2-1-
Definition date:	2017-06-30
Last modified:	2024-09-27
Release date:	2019-09-18
Identifier:	(2Z)-2-amino-3-hydroxyprop-2-enoic acid

P5F

P5F
Name:	N-propargylglycine-modified flavin adenine dinucleotide
Formula:	C32 H40 N10 O17 P2
SMILES:	Cc1cc2c(cc1C)n(C=CC=NCC(O)=O)c3C(=O)NC(=O)Nc3n2C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C32H40N10O17P2/c1-14-6-16-17(7-15(14)2)41(29-23(30(50)39-32(51)38-29)40(16)5-3-4-34-8-21(45)46)9-18(43)24(47)19(44)10-56-60(52,53)59-61(54,55)57-11-20-25(48)26(49)31(58-20)42-13-37-22-27(33)35-12-36-28(22)42/h3-7,12-13,18-20,24-26,31,43-44,47-49H,8-11H2,1-2H3,(H,45,46)(H,52,53)(H,54,55)(H2,33,35,36)(H2,38,39,50,51)/b5-3+,34-4?/t18-,19+,20+,24-,25+,26+,31+/m0/s1
Definition date:	2013-11-25
Last modified:	2024-09-27
Release date:	2014-02-19
Identifier:	2-[3-[10-[(2S,3S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-5-yl]prop-2-enylideneamino]ethanoic acid

A0U

A0U
Name:	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate
Formula:	C16 H24 N4 O3
SMILES:	CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C=N
InChi:	InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9,12,17H,10-11H2,1-4H3,(H,18,22)/b17-12+
Definition date:	2021-11-23
Last modified:	2024-09-27
Release date:	2022-01-26
Identifier:	~{tert}-butyl ~{N}-[iminomethyl-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]amino]carbamate

A0V

A0V
Name:	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C4 H7 B N3 O7 P
SMILES:	C(B(OP(O)(O)=O)O)n1nnc(c1)C(O)=O
InChi:	InChI=1S/C4H7BN3O7P/c9-4(10)3-1-8(7-6-3)2-5(11)15-16(12,13)14/h1,11H,2H2,(H,9,10)(H2,12,13,14)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid

A0Y

A0Y
Name:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid
Formula:	C9 H10 B F3 N5 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C9H10BF3N5O7PS/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)27(23,24)14-4-10(19)25-26(20,21)22/h1-3,14,19H,4H2,(H2,20,21,22)(H,15,16,17,18)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid

P5N

P5N
Name:	1-(4-methylphenyl)imidazole
Formula:	C10 H8 N2 O
SMILES:	O=Cc1ccc(cc1)n2ccnc2
InChi:	InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H
Definition date:	2020-04-15
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	4-imidazol-1-ylbenzaldehyde

A0Z

A0Z
Name:	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid
Formula:	C15 H16 I4 N2 O2
SMILES:	OC(=O)CCCCCCCn1cnc2c(I)c(I)c(I)c(I)c12
InChi:	InChI=1S/C15H16I4N2O2/c16-10-11(17)13(19)15-14(12(10)18)20-8-21(15)7-5-3-1-2-4-6-9(22)23/h8H,1-7H2,(H,22,23)
Definition date:	2017-08-09
Last modified:	2024-09-27
Release date:	2020-01-29
Identifier:	8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid

P5P

P5P
Name:	PURINE RIBOSIDE-5'-MONOPHOSPHATE
Formula:	C10 H13 N4 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O
InChi:	InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine

P5Q

P5Q
Name:	1-(4-methylphenyl)-1,2,4-triazole
Formula:	C9 H9 N3
SMILES:	Cc1ccc(cc1)n2cncn2
InChi:	InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-7-10-6-11-12/h2-7H,1H3
Definition date:	2020-04-15
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	1-(4-methylphenyl)-1,2,4-triazole

A16

A16
Name:	4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose
Formula:	C19 H35 N O13
SMILES:	OC3C(OC2OC(C)C(NC1CC(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO
InChi:	InChI=1S/C19H35NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h5-30H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18-,19-/m1/s1
Definition date:	2008-03-26
Last modified:	2024-09-27
Identifier:	4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose

P5U

P5U
Name:	O-[(4-cyanophenyl)sulfonyl]-L-serine
Formula:	C10 H10 N2 O5 S
SMILES:	NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O
InChi:	InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2018-06-28
Last modified:	2024-09-27
Release date:	2019-07-03
Identifier:	O-[(4-cyanophenyl)sulfonyl]-L-serine

A1G

A1G
Name:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
Formula:	C12 H19 N O2
SMILES:	O=C(O)C(C13CC2CC(C1)CC(C2)C3)N
InChi:	InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1
Definition date:	2016-04-28
Last modified:	2024-09-27
Release date:	2017-05-10
Identifier:	(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid

A1J

A1J
Name:	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
Formula:	C9 H13 B N O9 P S
SMILES:	c1ccc(CS(=O)(NCB(OP(O)(O)=O)O)=O)cc1C(O)=O
InChi:	InChI=1S/C9H13BNO9PS/c12-9(13)8-3-1-2-7(4-8)5-22(18,19)11-6-10(14)20-21(15,16)17/h1-4,11,14H,5-6H2,(H,12,13)(H2,15,16,17)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid

A1M

A1M
Name:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Formula:	C8 H11 B N5 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C8H11BN5O7PS/c15-9(21-22(16,17)18)5-10-23(19,20)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15H,5H2,(H2,16,17,18)(H,11,12,13,14)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid

P6F

P6F
Name:	1,6-di-O-phosphono-D-fructose
Formula:	C6 H14 O12 P2
SMILES:	O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O
InChi:	InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
Definition date:	2009-03-02
Last modified:	2024-09-27
Identifier:	1,6-di-O-phosphono-D-fructose

P6H

P6H
Name:	(2-methylsulfonylphenyl)methanol
Formula:	C8 H10 O3 S
SMILES:	C[S](=O)(=O)c1ccccc1CO
InChi:	InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	(2-methylsulfonylphenyl)methanol

A1W

A1W
Name:	2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Formula:	C23 H19 Cl N2 O
SMILES:	O=C(CCl)N1N=C(c2ccccc2)C(C1c1ccccc1)c1ccccc1
InChi:	InChI=1S/C23H19ClN2O/c24-16-20(27)26-23(19-14-8-3-9-15-19)21(17-10-4-1-5-11-17)22(25-26)18-12-6-2-7-13-18/h1-15,21,23H,16H2/t21-,23-/m0/s1
Definition date:	2023-04-20
Last modified:	2024-09-27
Release date:	2023-06-07
Identifier:	2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

P6N

P6N
Name:	(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula:	C11 H12 O
SMILES:	C[CH]1CCc2ccccc2C1=O
InChi:	InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-04-29
Identifier:	(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one

P6S

P6S
Name:	benzyl hydrogen carbonate
Formula:	C8 H8 O3
SMILES:	C(OC(=O)O)c1ccccc1
InChi:	InChI=1S/C8H8O3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:	2019-08-02
Last modified:	2024-09-27
Release date:	2020-02-05
Identifier:	benzyl hydrogen carbonate

P6Z

P6Z
Name:	3-imidazol-1-ylbenzaldehyde
Formula:	C10 H8 N2 O
SMILES:	O=Cc1cccc(c1)n2ccnc2
InChi:	InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	3-imidazol-1-ylbenzaldehyde

A2G

A2G
Name:	2-acetamido-2-deoxy-alpha-D-galactopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
Synonyms:	N-acetyl-alpha-D-galactosamine
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-galactopyranose

P7E

P7E
Name:	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
Formula:	C13 H16 N2 O4 S
SMILES:	CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H16N2O4S/c1-11(17)14-6-8-15(9-7-14)20(18,19)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde

A30

A30
Name:	O-ethyl-L-tyrosine
Formula:	C11 H15 N O3
SMILES:	CCOc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2021-11-04
Last modified:	2024-09-27
Release date:	2022-06-01
Identifier:	O-ethyl-L-tyrosine

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