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PDB Info pages Status search Chemie search: 44272 results BIRD

ZTO

ZTO
Name:	N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
Formula:	C23 H19 F N2 O3
SMILES:	COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
InChi:	InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1
Definition date:	2023-03-31
Last modified:	2024-09-27
Release date:	2024-03-27
Identifier:	N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide

LF7

LF7
Name:	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne
Formula:	C17 H27 N3 O2
SMILES:	O=C(N1C(CCC1)C=N)CNC24CC3CC(C2)CC(C3)(O)C4
InChi:	InChI=1S/C17H27N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h9,12-14,18-19,22H,1-8,10-11H2/b18-9+/t12-,13+,14-,16+,17-/m0/s1
Synonyms:	Vildagliptin, bound form
Definition date:	2012-12-11
Last modified:	2024-09-27
Release date:	2013-05-15
Identifier:	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-one

XCN

XCN
Name:	S-cyano-L-cysteine
Formula:	C4 H6 N2 O2 S
SMILES:	O=C(O)C(N)CSC#N
InChi:	InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
Definition date:	2010-09-21
Last modified:	2024-09-27
Identifier:	S-cyano-L-cysteine

K7I

K7I
Name:	L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
Formula:	C16 H25 N3 O3
SMILES:	O=C(NC(C(=O)NC(Cc1ccccc1)C(O)C)C)C(N)C
InChi:	InChI=1S/C16H25N3O3/c1-10(17)15(21)18-11(2)16(22)19-14(12(3)20)9-13-7-5-4-6-8-13/h4-8,10-12,14,20H,9,17H2,1-3H3,(H,18,21)(H,19,22)/t10-,11-,12+,14-/m0/s1
Synonyms:	ALA-ALA-PHE-CHLOROMETHYL KETONE
Definition date:	2007-11-12
Last modified:	2024-09-27
Identifier:	L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide

L1M

L1M
Name:	ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
Formula:	C8 H19 N2 O2 P
SMILES:	C(C)N(/C(C)=N/P(OCC)=O)CC
InChi:	InChI=1S/C8H19N2O2P/c1-5-10(6-2)8(4)9-13(11)12-7-3/h13H,5-7H2,1-4H3/b9-8+
Definition date:	2019-01-31
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate

ZBR

ZBR
Name:	1,3,5-tris(bromomethyl)benzene
Formula:	C9 H9 Br3
SMILES:	BrCc1cc(cc(c1)CBr)CBr
InChi:	InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
Definition date:	2011-02-16
Last modified:	2024-09-27
Identifier:	1,3,5-tris(bromomethyl)benzene

JT7

JT7
Name:	N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide
Formula:	C19 H30 B Cl N2 O5
SMILES:	Clc1c(C(NC(C(NC(CC(C)C)B(O)O)=O)CC(C)C)=O)ccc(OC)c1
InChi:	InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1
Definition date:	2017-11-01
Last modified:	2024-09-27
Release date:	2019-06-26
Identifier:	N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide

YAC

YAC
Name:	(4Z)-6-oxo-6-phenylhex-4-enoic acid
Formula:	C12 H12 O3
SMILES:	O=C(C=C/CCC(=O)O)c1ccccc1
InChi:	InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
Definition date:	2014-10-02
Last modified:	2024-09-27
Release date:	2014-12-03
Identifier:	(4Z)-6-oxo-6-phenylhex-4-enoic acid

XCP

XCP
Name:	(1S,2S)-2-aminocyclopentanecarboxylic acid
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1CCCC1N
InChi:	InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
Definition date:	2008-02-05
Last modified:	2024-09-27
Identifier:	(1S,2S)-2-aminocyclopentanecarboxylic acid

KM6

KM6
Name:	2-(4-chlorophenyl)-1,3,4-oxadiazole
Formula:	C8 H5 Cl N2 O
SMILES:	Clc1ccc(cc1)c2ocnn2
InChi:	InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
Definition date:	2022-09-27
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	2-(4-chlorophenyl)-1,3,4-oxadiazole

PXU

PXU
Name:	2-hydroxy-L-proline
Formula:	C5 H9 N O3
SMILES:	O=C(O)C1(O)NCCC1
InChi:	InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1
Definition date:	2012-10-03
Last modified:	2024-09-27
Release date:	2012-10-05
Identifier:	2-hydroxy-L-proline

WYR

WYR
Name:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide
Formula:	C34 H46 F N5 O7
SMILES:	Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)C(=O)NC(C)C
InChi:	InChI=1S/C34H46FN5O7/c1-20(2)16-27(31(43)38-26(18-24-14-15-36-30(24)42)29(41)33(45)37-21(3)4)39-32(44)28(17-22-10-12-25(35)13-11-22)40-34(46)47-19-23-8-6-5-7-9-23/h5-13,20-21,24,26-29,41H,14-19H2,1-4H3,(H,36,42)(H,37,45)(H,38,43)(H,39,44)(H,40,46)/t24-,26-,27-,28-,29+/m0/s1
Synonyms:	GSK3487016A
Definition date:	2023-10-17
Last modified:	2024-09-27
Release date:	2024-02-14
Identifier:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide

K7J

K7J
Name:	N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Formula:	C25 H35 Cl N4 O7
SMILES:	O=C(NC(Cc1ccccc1)C(O)CCl)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)C)C)CCC2
InChi:	InChI=1S/C25H35ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-20,31H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-,20+/m0/s1
Synonyms:	SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE
Definition date:	2007-11-12
Last modified:	2024-09-27
Identifier:	N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide

QCS

QCS
Name:	S-carbamoyl-L-cysteine
Formula:	C4 H8 N2 O3 S
SMILES:	O=C(SCC(C(=O)O)N)N
InChi:	InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1
Definition date:	2013-10-21
Last modified:	2024-09-27
Release date:	2013-12-18
Identifier:	S-carbamoyl-L-cysteine

K7K

K7K
Name:	2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanal
Formula:	C19 H26 N3 O6 P
SMILES:	CCCCCC[P](=O)(OC[CH](N)C(O)=O)Oc1cccnc1c2ncccc2O
InChi:	InChI=1S/C19H26N3O6P/c1-2-3-4-5-12-29(26,27-13-14(20)19(24)25)28-16-9-7-11-22-18(16)17-15(23)8-6-10-21-17/h6-11,14,23H,2-5,12-13,20H2,1H3,(H,24,25)/t14-,29-/m0/s1
Definition date:	2019-05-01
Last modified:	2024-09-27
Release date:	2019-12-25
Identifier:	(2~{S})-2-azanyl-3-[hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphoryl]oxy-propanoic acid

XTM

XTM
Name:	N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C21 H30 F N3 O5
SMILES:	C2(=O)C(CC(NC(C(CC(C)C)NC(OCc1cccc(F)c1)=O)=O)CO)CCN2
InChi:	InChI=1S/C21H30FN3O5/c1-13(2)8-18(25-21(29)30-12-14-4-3-5-16(22)9-14)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h3-5,9,13,15,17-18,26H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

W1L

W1L
Name:	(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
Formula:	C28 H32 Cl2 N4 O4
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChi:	InChI=1S/C28H32Cl2N4O4/c1-28(2)22-14-33(24(23(22)28)26(37)32-19(15-35)13-16-11-12-31-25(16)36)27(38)34(20-7-3-17(29)4-8-20)21-9-5-18(30)6-10-21/h3-10,16,19,22-24,35H,11-15H2,1-2H3,(H,31,36)(H,32,37)/t16-,19-,22-,23-,24-/m0/s1
Definition date:	2023-09-21
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(1R,2S,5S)-N~3~,N~3~-bis(4-chlorophenyl)-N~2~-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxamide

KM8

KM8
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
Formula:	C14 H15 N3 O S
SMILES:	CCC(=O)Nc1cccc(c1)c2csc(c2)C(N)=N
InChi:	InChI=1S/C14H15N3OS/c1-2-13(18)17-11-5-3-4-9(6-11)10-7-12(14(15)16)19-8-10/h3-8H,2H2,1H3,(H3,15,16)(H,17,18)
Definition date:	2019-06-07
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide

PXW

PXW
Name:	(1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium
Formula:	C24 H24 Cl N4 O S
SMILES:	S/C(N)=[N+]1C2CC(NC(=O)c3ccc(cc3Cl)c3cccc(c3)C3(C#N)CC3)C1CC2
InChi:	InChI=1S/C24H23ClN4OS/c25-19-11-15(14-2-1-3-16(10-14)24(13-26)8-9-24)4-6-18(19)22(30)28-20-12-17-5-7-21(20)29(17)23(27)31/h1-4,6,10-11,17,20-21H,5,7-9,12H2,(H3,27,28,30,31)/p+1/t17-,20+,21+/m0/s1
Definition date:	2022-05-31
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	(1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium

AY0

AY0
Name:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid
Formula:	C12 H14 N O7 P
SMILES:	O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O
InChi:	InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2010-10-09
Last modified:	2024-09-27
Identifier:	(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropanecarboxylic acid

XTP

XTP
Name:	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C21 H29 N3 O5
SMILES:	C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3
InChi:	InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

IZO

IZO
Name:	(2S)-2-AMINOHEX-5-YNOIC ACID
Formula:	C6 H9 N O2
SMILES:	O=C(O)C(N)CCC#C
InChi:	InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
Definition date:	2010-08-09
Last modified:	2024-09-27
Identifier:	(2S)-2-aminohex-5-ynoic acid

PXY

PXY
Name:	PARA-XYLENE
Formula:	C8 H10
SMILES:	c1cc(ccc1C)C
InChi:	InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1,4-dimethylbenzene

ZBZ

ZBZ
Name:	S-(phenylcarbonyl)-L-cysteine
Formula:	C10 H11 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)c1ccccc1
InChi:	InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2010-02-09
Last modified:	2024-09-27
Identifier:	S-benzoyl-L-cysteine

V72

V72
Name:	N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide
Formula:	C19 H24 N6 O2
SMILES:	CCC(=O)N(C)C1CC(C)(C1)Oc1nc(cn2nccc12)c1cn(C)nc1
InChi:	InChI=1S/C19H24N6O2/c1-5-17(26)24(4)14-8-19(2,9-14)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h6-7,10-12,14H,5,8-9H2,1-4H3/t14-,19-
Definition date:	2023-09-11
Last modified:	2024-09-27
Release date:	2024-06-26
Identifier:	N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide

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