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PDB Info pages Status search Chemie search: 44240 results BIRD

MEE

MEE
Name:	METHANETHIOL
Formula:	C H4 S
SMILES:	SC
InChi:	InChI=1S/CH4S/c1-2/h2H,1H3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	methanethiol

Y62

Y62
Name:	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19)
Definition date:	2023-01-05
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide

VBA

VBA
Name:	[(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate
Formula:	C21 H24 N6 O6 S
SMILES:	C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4ccn(Cc3ccccc3)n4)=O)O)O
InChi:	InChI=1S/C21H24N6O6S/c22-34(31,32)33-11-14-8-17(20(30)18(14)28)25-21-15(9-23-12-24-21)19(29)16-6-7-27(26-16)10-13-4-2-1-3-5-13/h1-7,9,12,14,17-18,20,28,30H,8,10-11H2,(H2,22,31,32)(H,23,24,25)/t14-,17-,18-,20+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	[(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate

Y63

Y63
Name:	4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid
Formula:	C37 H37 F N6 O4
SMILES:	O=C(O)CCC(=O)N1C2CCC1CN(C2)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(C#C)c21)OCC12CCCN2CCC1
InChi:	InChI=1S/C37H37FN6O4/c1-2-23-7-3-8-24-9-4-10-27(31(23)24)33-32(38)34-28(19-39-33)35(41-36(40-34)48-22-37-15-5-17-43(37)18-6-16-37)42-20-25-11-12-26(21-42)44(25)29(45)13-14-30(46)47/h1,3-4,7-10,19,25-26H,5-6,11-18,20-22H2,(H,46,47)/t25-,26+
Definition date:	2023-06-12
Last modified:	2024-09-27
Release date:	2024-03-13
Identifier:	4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid

LLE

LLE
Name:	(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
Formula:	C23 H39 N2 O13 P S
SMILES:	CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O
InChi:	InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1
Definition date:	2019-08-22
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide

MEG

MEG
Name:	(2S,3S)-2-azanyl-3-methyl-pentanedioic acid
Formula:	C6 H11 N O4
SMILES:	O=C(O)C(N)C(CC(=O)O)C
InChi:	InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1
Synonyms:	(3S)-3-methyl-L-glutamic acid
Definition date:	2004-05-16
Last modified:	2024-09-27
Identifier:	(3S)-3-methyl-L-glutamic acid

YX7

YX7
Name:	[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid
Formula:	C9 H19 B N2 O4
SMILES:	O=C(NC(CC(N)=O)B(O)O)CCCCC
InChi:	InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1
Definition date:	2021-04-05
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	[(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid

XSN

XSN
Name:	L-alpha-asparagine
Formula:	C4 H8 N2 O3
SMILES:	O=C(N)C(N)CC(=O)O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1
Definition date:	2011-05-13
Last modified:	2024-09-27
Identifier:	L-alpha-asparagine

N7W

N7W
Name:	~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide
Formula:	C31 H32 Cl N7 O3
SMILES:	CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23
InChi:	InChI=1S/C31H32ClN7O3/c1-4-28(40)38-25-15-20(8-10-27(25)41-14-13-39(2)3)23-17-34-30-29(23)31(36-19-35-30)37-21-9-11-26(24(32)16-21)42-18-22-7-5-6-12-33-22/h5-12,15-17,19H,4,13-14,18H2,1-3H3,(H,38,40)(H2,34,35,36,37)
Definition date:	2019-11-14
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide

Y64

Y64
Name:	(1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C24 H39 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O
InChi:	InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19-,20-,23-/m0/s1
Definition date:	2021-02-08
Last modified:	2024-09-27
Release date:	2021-02-17
Identifier:	(2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{R},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid

LLF

LLF
Name:	(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H13 F2 N2 O5 P
SMILES:	FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
InChi:	InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+
Synonyms:	(E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE
Definition date:	2006-04-05
Last modified:	2024-09-27
Identifier:	(4-{(E)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

POK

POK
Name:	2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
Formula:	C8 H16 N4 O4
SMILES:	N[CH](CCCNC(=N)NCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1
Definition date:	2020-04-27
Last modified:	2024-09-27
Release date:	2020-06-03
Identifier:	(2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid

YJG

YJG
Name:	2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide
Formula:	C20 H20 Cl N5 O4 S
SMILES:	O=C(CN1N=CC=C(Cl)C1=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1
InChi:	InChI=1S/C20H20ClN5O4S/c1-14-5-6-16(25-19(27)13-26-20(28)17(21)8-10-23-26)12-18(14)31(29,30)24-11-7-15-4-2-3-9-22-15/h2-6,8-10,12,24H,7,11,13H2,1H3,(H,25,27)
Definition date:	2021-03-10
Last modified:	2024-09-27
Release date:	2021-03-17
Identifier:	2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide

POL

POL
Name:	N-PROPANOL
Formula:	C3 H8 O
SMILES:	OCCC
InChi:	InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
Synonyms:	1-PROPONOL
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propan-1-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

POM

POM
Name:	CIS-5-METHYL-4-OXOPROLINE
Formula:	C6 H9 N O3
SMILES:	O=C1C(NC(C(=O)O)C1)C
InChi:	InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(5S)-5-methyl-4-oxo-L-proline

5JP

5JP
Name:	N-methyl-L-serine
Formula:	C4 H9 N O3
SMILES:	O=C(O)C(CO)NC
InChi:	InChI=1S/C4H9NO3/c1-5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
Definition date:	2015-10-02
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	N-methyl-L-serine

ZL7

ZL7
Name:	(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
Formula:	C23 H31 F4 N3 O5 S
SMILES:	OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1ccc(F)cc1)C(F)(F)F)C(=O)NC1CC1
InChi:	InChI=1S/C23H31F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-20,29,31H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,19+,20-/m0/s1
Definition date:	2021-05-04
Last modified:	2024-09-27
Release date:	2021-05-12
Identifier:	(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)

O10

O10
Name:	(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
Formula:	C10 H5 Br Cl N5
SMILES:	Brc1cnc(Cl)nc1n1ccc2ncncc21
InChi:	InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
Definition date:	2022-04-15
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine

ROP

ROP
Name:	PROPIONAMIDE
Formula:	C3 H7 N O
SMILES:	O=C(N)CC
InChi:	InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
Definition date:	2001-03-23
Last modified:	2024-09-27
Identifier:	propanamide

UVZ

UVZ
Name:	4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Formula:	C16 H14 Cl N O3 S
SMILES:	Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

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

YJI

YJI
Name:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide
Formula:	C13 H27 N2 O8 P S
SMILES:	O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:	InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1
Definition date:	2023-02-08
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide

QWH

QWH
Name:	~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide
Formula:	C10 H13 Br N2 O
SMILES:	CCC(=O)Nc1cc(C)nc(C)c1Br
InChi:	InChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14)
Synonyms:	RA399
Definition date:	2020-08-14
Last modified:	2024-09-27
Release date:	2021-10-13
Identifier:	~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide

O12

O12
Name:	N~5~-dodecanoyl-L-ornithine
Formula:	C17 H34 N2 O3
SMILES:	O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC
InChi:	InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
Definition date:	2008-02-25
Last modified:	2024-09-27
Identifier:	N~5~-dodecanoyl-L-ornithine

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