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PDB Info pages Status search Chemie search: 44240 results BIRD

A1L0D

A1L0D
Name:	[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid
Formula:	C16 H27 B N4 O3
SMILES:	OB(O)[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3
InChi:	InChI=1S/C16H27BN4O3/c22-16(18-15(17(23)24)12-7-3-1-4-8-12)14-11-21(20-19-14)13-9-5-2-6-10-13/h11-13,15,23-24H,1-10H2,(H,18,22)/t15-/m0/s1
Definition date:	2024-04-09
Last modified:	2024-10-02
Release date:	2024-07-31
Identifier:	[(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid

I77

I77
Name:	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide
Formula:	C12 H11 N5 O2
SMILES:	NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN
InChi:	InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19)
Definition date:	2022-01-20
Last modified:	2024-10-02
Release date:	2022-04-20
Identifier:	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide

K5L

K5L
Name:	(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
Formula:	C6 H9 N O6
SMILES:	N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m1/s1
Definition date:	2017-01-25
Last modified:	2024-10-02
Release date:	2018-01-24
Identifier:	(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid

A1ADY

A1ADY
Name:	(2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol
Formula:	C9 H10 N2 O4
SMILES:	O=[N+]([O-])c1ccccc1CC(N)C(=O)O
InChi:	InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2024-01-29
Last modified:	2024-10-02
Release date:	2024-03-13
Identifier:	2-nitro-L-phenylalanine

A1ADZ

A1ADZ
Name:	(2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol
Formula:	C10 H13 N O3
SMILES:	COc1ccccc1CC(N)C(=O)O
InChi:	InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1
Definition date:	2024-01-29
Last modified:	2024-10-02
Release date:	2024-03-13
Identifier:	2-methoxy-L-phenylalanine

RY2

RY2
Name:	(3-(1H-tetrazol-5-yl)phenyl)boronic acid
Formula:	C7 H7 B N4 O2
SMILES:	OB(O)c1cccc(c1)c2n[nH]nn2
InChi:	InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
Synonyms:	[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid
Definition date:	2020-10-31
Last modified:	2024-09-27
Release date:	2021-08-11
Identifier:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid

VL5

VL5
Name:	(2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
Formula:	C25 H34 N8 O10 S2
SMILES:	CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O
InChi:	InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1
Synonyms:	AIC499 (bound)
Definition date:	2021-05-27
Last modified:	2024-09-27
Release date:	2021-08-04
Identifier:	(2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid

M9P

M9P
Name:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
Formula:	C7 H16 F3 N4 O
SMILES:	FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1
Definition date:	2013-09-18
Last modified:	2024-09-27
Release date:	2014-07-08
Identifier:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium

RJR

RJR
Name:	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol
Formula:	C23 H37 N3 O5
SMILES:	O[CH]1C[CH](O)[CH](Cn2cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O
InChi:	InChI=1S/C23H37N3O5/c27-19-7-20(28)22(30)21(29)18(19)12-26-11-17(24-25-26)2-1-3-31-13-23-8-14-4-15(9-23)6-16(5-14)10-23/h11,14-16,18-22,27-30H,1-10,12-13H2/t14-,15+,16-,18-,19-,20-,21+,22+,23-/m0/s1
Definition date:	2018-12-11
Last modified:	2024-09-27
Release date:	2019-03-27
Identifier:	(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol

SRU

SRU
Name:	1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Formula:	C19 H20 N2 O3
SMILES:	O=C(C)N1N=C(CC1c1ccc(OC)c(OC)c1)c1ccccc1
InChi:	InChI=1S/C19H20N2O3/c1-13(22)21-17(12-16(20-21)14-7-5-4-6-8-14)15-9-10-18(23-2)19(11-15)24-3/h4-11,17H,12H2,1-3H3/t17-/m0/s1
Definition date:	2022-07-08
Last modified:	2024-09-27
Release date:	2023-05-17
Identifier:	1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

N2X

N2X
Name:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C17 H16 Br N O3
SMILES:	CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O
InChi:	InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one

5EX

5EX
Name:	ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula:	C27 H36 N4 O6
SMILES:	C1(CCC1)CNC(=O)C(NC(Cc2ccccc2)C(NC(CC3CCNC3=O)[C@H]=[C@H]C(OCC)=O)=O)=O
InChi:	InChI=1S/C27H36N4O6/c1-2-37-23(32)12-11-21(16-20-13-14-28-24(20)33)30-25(34)22(15-18-7-4-3-5-8-18)31-27(36)26(35)29-17-19-9-6-10-19/h3-5,7-8,11-12,19-22H,2,6,9-10,13-17H2,1H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t20-,21+,22-/m0/s1
Definition date:	2015-09-18
Last modified:	2024-09-27
Release date:	2016-03-30
Identifier:	ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

NW3

NW3
Name:	(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C16 H21 N3 O4 S
SMILES:	O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1
InChi:	InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1
Definition date:	2022-04-11
Last modified:	2024-09-27
Release date:	2022-05-25
Identifier:	(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

ZFB

ZFB
Name:	(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
Formula:	C18 H18 N3 O3
SMILES:	N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1
Definition date:	2003-07-07
Last modified:	2024-09-27
Identifier:	(3R)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium

5F0

5F0
Name:	(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Formula:	C5 H9 N O4
SMILES:	COC(=O)[CH](N)CC(O)=O
InChi:	InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
Synonyms:	1-methyl isoaspartic acid
Definition date:	2021-07-09
Last modified:	2024-09-27
Release date:	2022-06-15
Identifier:	(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid

X9H

X9H
Name:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Formula:	C23 H20 N6 O
SMILES:	C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
Definition date:	2022-11-07
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide

XNV

XNV
Name:	ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Formula:	C26 H31 N5 O7
SMILES:	O=C(NC1=CC=CN(C1=O)C(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)CC#C)c3noc(c3)C
InChi:	InChI=1S/C26H31N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8,13-14,17-18,21H,5,7,9-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/t17-,18+,21-/m0/s1
Synonyms:	AG7404, bound form
Definition date:	2011-01-14
Last modified:	2024-09-27
Identifier:	ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

SRZ

SRZ
Name:	PROPOXY-L-SERINE
Formula:	C6 H13 N O4
SMILES:	O=C(O)C(N)COCCCO
InChi:	InChI=1S/C6H13NO4/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
Definition date:	2013-11-05
Last modified:	2024-09-27
Release date:	2013-12-04
Identifier:	O-(3-hydroxypropyl)-L-serine

WFZ

WFZ
Name:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid
Formula:	C16 H12 N4 O4 S2
SMILES:	COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C
InChi:	InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22)
Definition date:	2023-10-03
Last modified:	2024-09-27
Release date:	2024-03-27
Identifier:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid

M9W

M9W
Name:	Enmetazobactam derived trans-enamine adduct
Formula:	C11 H17 N4 O6 S
SMILES:	C[n+]1ccn(C[C](C)([CH](NC=CC(O)=O)C(O)=O)[S](O)=O)n1
InChi:	InChI=1S/C11H16N4O6S/c1-11(22(20)21,7-15-6-5-14(2)13-15)9(10(18)19)12-4-3-8(16)17/h3-6,9,12H,7H2,1-2H3,(H2-,16,17,18,19,20,21)/p+1/b4-3+/t9-,11-/m0/s1
Synonyms:	(2S,3S)-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]-3-sulfino-butanoic acid
Definition date:	2019-10-10
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	(2~{S},3~{S})-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]-3-sulfino-butanoic acid

ZFG

ZFG
Name:	4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline
Formula:	C16 H19 N S
SMILES:	C/C(=CC)c1ccc(s1)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C16H19NS/c1-5-12(2)15-10-11-16(18-15)13-6-8-14(9-7-13)17(3)4/h5-11H,1-4H3/b12-5+
Definition date:	2021-04-16
Last modified:	2024-09-27
Release date:	2022-01-12
Identifier:	4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline

WG0

WG0
Name:	[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid
Formula:	C19 H17 Cl N4 O2 S
SMILES:	O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21
InChi:	InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1
Definition date:	2022-09-07
Last modified:	2024-09-27
Release date:	2023-10-04
Identifier:	[(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid

5F2

5F2
Name:	ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula:	C22 H29 N3 O5
SMILES:	N2CCC(CC(/C=CC(=O)OCC)NC(C(NC(C)=O)Cc1ccccc1)=O)C2=O
InChi:	InChI=1S/C22H29N3O5/c1-3-30-20(27)10-9-18(14-17-11-12-23-21(17)28)25-22(29)19(24-15(2)26)13-16-7-5-4-6-8-16/h4-10,17-19H,3,11-14H2,1-2H3,(H,23,28)(H,24,26)(H,25,29)/t17-,18+,19-/m0/s1
Definition date:	2015-09-18
Last modified:	2024-09-27
Release date:	2016-03-30
Identifier:	ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

ZFI

ZFI
Name:	N-[2-(methanesulfonyl)phenyl]acetamide
Formula:	C9 H11 N O3 S
SMILES:	O=S(C)(=O)c1ccccc1NC(C)=O
InChi:	InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	N-[2-(methanesulfonyl)phenyl]acetamide

M9X

M9X
Name:	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C27 H39 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NC4CC4)C1=O
InChi:	InChI=1S/C27H39N5O7/c1-27(2,3)39-26(38)31-18-5-4-12-32(25(18)37)20(13-15-6-7-15)23(35)30-19(14-16-10-11-28-22(16)34)21(33)24(36)29-17-8-9-17/h4-5,12,15-17,19-21,33H,6-11,13-14H2,1-3H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t16-,19-,20-,21+/m0/s1
Synonyms:	tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

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243911

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