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PDB Info pages Status search Chemie search: 44272 results BIRD

QH0

QH0
Name:	(phenylmethyl) N-[(2S)-4-methyl-1-[[(2S)-4-nitro-1-[(3R)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C22 H32 N4 O6
SMILES:	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC[N+]([O-])=O)C[CH]2CCNC2=O
InChi:	InChI=1S/C22H32N4O6/c1-15(2)12-19(25-22(29)32-14-16-6-4-3-5-7-16)21(28)24-18(9-11-26(30)31)13-17-8-10-23-20(17)27/h3-7,15,17-19H,8-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t17-,18-,19+/m1/s1
Definition date:	2022-10-31
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

JIH

JIH
Name:	[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate
Formula:	C26 H26 Cl F N3 O7 P
SMILES:	O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3cccc(NC(=O)CCl)c3)cc1
InChi:	InChI=1S/C26H26ClFN3O7P/c27-15-25(33)30-21-3-1-2-19(12-21)16-29-26(34)23(31-24(32)14-18-4-8-20(28)9-5-18)13-17-6-10-22(11-7-17)38-39(35,36)37/h1-12,23H,13-16H2,(H,29,34)(H,30,33)(H,31,32)(H2,35,36,37)/t23-/m0/s1
Definition date:	2022-04-27
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

B27

B27
Name:	(2R,3S) 3-amino-4-mercapto-2-butanol
Formula:	C4 H11 N O S
SMILES:	OC(C)C(N)CS
InChi:	InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
Synonyms:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol
Definition date:	2009-05-20
Last modified:	2024-09-27
Identifier:	(2R,3S)-3-amino-4-sulfanylbutan-2-ol

XHZ

XHZ
Name:	6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
Formula:	C13 H8 O2
SMILES:	C#Cc1cc2ccc(O)c(C=O)c2cc1
InChi:	InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
Definition date:	2023-06-06
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde

YVA

YVA
Name:	ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Formula:	C28 H35 N3 O5
SMILES:	C#Cc1ccc(cc1)/C=C/C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C28H35N3O5/c1-3-19-5-7-20(8-6-19)11-13-25(32)31-24(17-21-9-10-21)28(35)30-23(12-14-26(33)36-4-2)18-22-15-16-29-27(22)34/h1,5-8,11,13,21-24H,4,9-10,12,14-18H2,2H3,(H,29,34)(H,30,35)(H,31,32)/b13-11+/t22-,23+,24-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

ZZ7

ZZ7
Name:	(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C16 H21 N3 O5 S
SMILES:	O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N
InChi:	InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1
Synonyms:	AMPICILLIN (open form)
Definition date:	2009-06-11
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

XZ6

XZ6
Name:	7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Formula:	C8 H9 N2 O2 S
SMILES:	Cc1csc2N=C(CO)CC(=O)[n]12
InChi:	InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3
Definition date:	2023-11-14
Last modified:	2024-09-27
Release date:	2024-02-14
Identifier:	7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one

QH4

QH4
Name:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
Formula:	C32 H39 N7 O2
SMILES:	C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C
InChi:	InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1
Definition date:	2019-11-01
Last modified:	2024-09-27
Release date:	2020-04-22
Identifier:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile

L61

L61
Name:	2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C14 H19 N O3
SMILES:	O=C(OCC(C)C)NC(c1ccccc1)CC=O
InChi:	InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate

B2A

B2A
Name:	ALANINE BORONIC ACID
Formula:	C2 H8 B N O2
SMILES:	OB(O)C(N)C
InChi:	InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-aminoethyl]boronic acid

ZIN

ZIN
Name:	7-(pyridin-2-ylmethyl)quinolin-8-ol
Formula:	C15 H12 N2 O
SMILES:	Oc1c(ccc2cccnc12)Cc3ncccc3
InChi:	InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2
Definition date:	2009-09-15
Last modified:	2024-09-27
Identifier:	7-(pyridin-2-ylmethyl)quinolin-8-ol

UIL

UIL
Name:	[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CC(C)C[CH](CN)NC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m1/s1
Definition date:	2019-10-14
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid

L62

L62
Name:	cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
Formula:	C15 H19 N O3
SMILES:	O=C(OC1CCCC1)NC(c2ccccc2)CC=O
InChi:	InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1
Definition date:	2013-02-11
Last modified:	2024-09-27
Release date:	2013-05-22
Identifier:	cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate

YVD

YVD
Name:	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
Formula:	C29 H36 F2 N4 O5
SMILES:	Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C29H36F2N4O5/c1-2-40-26(36)12-11-23(17-20-13-14-33-27(20)37)34-29(39)25(16-19-5-9-22(31)10-6-19)35-28(38)24(32)15-18-3-7-21(30)8-4-18/h3-10,20,23-25H,2,11-17,32H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t20-,23+,24+,25-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide

IOY

IOY
Name:	P-IODO-D-PHENYLALANINE
Formula:	C9 H10 I N O2
SMILES:	Ic1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
Synonyms:	4-IODOPHENYLALANINE
Definition date:	2004-09-14
Last modified:	2024-09-27
Identifier:	4-iodo-D-phenylalanine

LJN

LJN
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H17 N4 O8 P
SMILES:	CC(=O)NCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C10H17N4O8P/c1-5(15)11-2-6-3-14(13-12-6)10-9(17)8(16)7(22-10)4-21-23(18,19)20/h3,7-10,16-17H,2,4H2,1H3,(H,11,15)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1
Definition date:	2019-08-20
Last modified:	2024-09-27
Release date:	2020-03-18
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

UIM

UIM
Name:	N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide
Formula:	C28 H27 N7 O2
SMILES:	CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)cc1
InChi:	InChI=1S/C28H27N7O2/c1-16(2)27(36)34-20-9-5-19(6-10-20)24-22(23-25(29)31-15-32-26(23)35(24)4)18-7-11-21(12-8-18)37-28-30-14-13-17(3)33-28/h5-16H,1-4H3,(H,34,36)(H2,29,31,32)
Definition date:	2023-09-05
Last modified:	2024-09-27
Release date:	2024-02-14
Identifier:	N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide

B2C

B2C
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H16 Br N3 O5
SMILES:	C(O)(C)C(C2=NC(=[C@H]c1cc(Br)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:	InChI=1S/C15H16BrN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

YVG

YVG
Name:	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Formula:	C29 H38 N4 O5
SMILES:	NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C29H38N4O5/c1-2-38-26(34)14-13-23(19-22-15-16-31-27(22)35)32-29(37)25(18-21-11-7-4-8-12-21)33-28(36)24(30)17-20-9-5-3-6-10-20/h3-12,22-25H,2,13-19,30H2,1H3,(H,31,35)(H,32,37)(H,33,36)/t22-,23+,24+,25-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2022-10-12
Identifier:	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide

IAE

IAE
Name:	(2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H12 F3 N O2
SMILES:	N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1
Definition date:	2022-06-23
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid

ZIQ

ZIQ
Name:	alpha-methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:	InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:	2018-06-13
Last modified:	2024-09-27
Release date:	2020-01-01
Identifier:	alpha-methyl-L-tryptophan

XZA

XZA
Name:	diazanecarboxylic acid
Formula:	C H4 N2 O2
SMILES:	NNC(O)=O
InChi:	InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)
Definition date:	2016-06-03
Last modified:	2024-09-27
Release date:	2017-06-28
Identifier:	diazanecarboxylic acid

Q2A

Q2A
Name:	3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
Formula:	C25 H24 F I N6 O4 S2
SMILES:	C(C2CN(Cc1cccc(S(=O)(F)=O)c1)CCC2)n4c3ncnc(c3nc4Sc5c(cc6c(c5)OCO6)I)N
InChi:	InChI=1S/C25H24FIN6O4S2/c26-39(34,35)17-5-1-3-15(7-17)10-32-6-2-4-16(11-32)12-33-24-22(23(28)29-13-30-24)31-25(33)38-21-9-20-19(8-18(21)27)36-14-37-20/h1,3,5,7-9,13,16H,2,4,6,10-12,14H2,(H2,28,29,30)/t16-/m0/s1
Definition date:	2019-09-10
Last modified:	2024-09-27
Release date:	2020-02-19
Identifier:	3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride

ZZC

ZZC
Name:	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE
Formula:	C15 H21 N5 O13 P2
SMILES:	CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1
Definition date:	2009-07-23
Last modified:	2024-09-27
Identifier:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate

QH9

QH9
Name:	5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide
Formula:	C27 H21 N5 O2
SMILES:	COc1cc2ccncc2cc1c3c[nH]c4ncc(cc34)c5cncc(c5)C(=O)N(C)CC#C
InChi:	InChI=1S/C27H21N5O2/c1-4-7-32(2)27(33)21-8-18(13-29-14-21)20-10-23-24(16-31-26(23)30-15-20)22-9-19-12-28-6-5-17(19)11-25(22)34-3/h1,5-6,8-16H,7H2,2-3H3,(H,30,31)
Definition date:	2022-10-31
Last modified:	2024-09-27
Release date:	2023-03-22
Identifier:	5-[3-(6-methoxyisoquinolin-7-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N}-methyl-~{N}-prop-2-ynyl-pyridine-3-carboxamide

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