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PDB Info pages Status search Chemie search: 88 results BIRD

O1O

O1O
Name:	1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
Formula:	C21 H19 F3 N2 O7 S
SMILES:	CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)C3=C(O)CCCC3=O
InChi:	InChI=1S/C21H19F3N2O7S/c1-10-11(19(30)17-12(27)5-4-6-13(17)28)7-8-14(34(3,32)33)18(10)26-16(29)9-15(21(22,23)24)25(2)20(26)31/h7-9,27H,4-6H2,1-3H3
Definition date:	2023-01-20
Last modified:	2023-12-15
Release date:	2023-12-20
Identifier:	1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione

TA2

TA2
Name:	(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
Formula:	C9 H13 N O2
SMILES:	OCC(O)C(N)c1ccccc1
InChi:	InChI=1S/C9H13NO2/c10-9(8(12)6-11)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m0/s1
Definition date:	2006-09-22
Last modified:	2023-11-03
Identifier:	(2R,3S)-3-amino-3-phenylpropane-1,2-diol

2L5

2L5
Name:	2-chloro-L-phenylalanine
Formula:	C9 H10 Cl N O2
SMILES:	Clc1ccccc1CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2013-11-25
Last modified:	2023-11-03
Release date:	2014-10-15
Identifier:	2-chloro-L-phenylalanine

AGQ

AGQ
Name:	3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
Formula:	C10 H13 N5 O4
SMILES:	O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N
InChi:	InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1
Definition date:	2010-05-17
Last modified:	2023-11-03
Identifier:	3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

FDE

FDE
Name:	FE(III) DEUTEROPORPHYRIN IX
Formula:	C30 H28 Fe N4 O4
SMILES:	CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)C
InChi:	InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
Definition date:	2005-09-13
Last modified:	2023-09-23

COH

COH
Name:	PROTOPORPHYRIN IX CONTAINING CO
Formula:	C34 H32 Co N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:	InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	1999-07-08
Last modified:	2023-09-23

Z0I

Z0I
Name:	N-(1H-indol-7-yl)acetamide
Formula:	C10 H10 N2 O
SMILES:	CC(=O)Nc1cccc2cc[NH]c12
InChi:	InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-(1H-indol-7-yl)acetamide

BOV

BOV
Name:	4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
Formula:	C22 H27 F2 N5 O4
SMILES:	CC(C)C[CH](NC(=O)c1[nH]c2cccc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF
InChi:	InChI=1S/C22H27F2N5O4/c1-12(2)8-17(27-21(32)18-9-14-15(24)4-3-5-16(14)26-18)22(33)28-29(19(30)10-23)11-13-6-7-25-20(13)31/h3-5,9,12-13,17,26H,6-8,10-11H2,1-2H3,(H,25,31)(H,27,32)(H,28,33)/t13-,17-/m0/s1
Definition date:	2022-03-29
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide

RM6

RM6
Name:	[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
Formula:	C15 H16 N2 O3 S
SMILES:	O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1
InChi:	InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10-
Definition date:	2022-06-23
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid

QZO

QZO
Name:	(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
Formula:	C17 H15 F N4 O2
SMILES:	O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

QZX

QZX
Name:	(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
Formula:	C17 H15 F N4 O2
SMILES:	O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:	InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1
Definition date:	2022-06-14
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

UAT

UAT
Name:	4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
Formula:	C14 H20 N2 O
SMILES:	CC1CCN(CC1)C(=O)NCc2ccccc2
InChi:	InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
Definition date:	2021-02-09
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide

TO7

TO7
Name:	(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
Formula:	C17 H18 N4 O3 S
SMILES:	c4ccc(c(C(c1sc(nc1N)NC3C2CCC(C2)C3)=O)c4)[N+]([O-])=O
InChi:	InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1
Synonyms:	MC180295
Definition date:	2020-03-25
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone

TOJ

TOJ
Name:	(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
Formula:	C17 H18 N4 O3 S
SMILES:	c1cc(c(cc1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC4C3CC(CC3)C4)N
InChi:	InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m0/s1
Definition date:	2020-03-25
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone

QHV

QHV
Name:	(R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
Formula:	C44 H37 Cl N2 O4 S
SMILES:	N(C(C(O)=O)CSCc1ccccc1)C(N(C(c5ccc(c4cc(c3ccccc3c2ccc(Cl)cc2)ccc4)cc5)=O)Cc6ccc(cc6)C)=O
InChi:	InChI=1S/C44H37ClN2O4S/c1-30-14-16-31(17-15-30)27-47(44(51)46-41(43(49)50)29-52-28-32-8-3-2-4-9-32)42(48)35-20-18-33(19-21-35)36-10-7-11-37(26-36)40-13-6-5-12-39(40)34-22-24-38(45)25-23-34/h2-26,41H,27-29H2,1H3,(H,46,51)(H,49,50)/t41-/m0/s1
Definition date:	2019-11-04
Last modified:	2021-04-30
Release date:	2021-05-05
Identifier:	S-benzyl-N-{(1~4~-chloro[1~1~,2~1~:2~2~,3~1~:3~3~,4~1~-quaterphenyl]-4~4~-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-L-cysteine

FC6

FC6
Name:	HEXACYANOFERRATE(3-)
Formula:	C6 Fe N6
SMILES:	N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N
InChi:	InChI=1S/6CN.Fe/c6*1-2
Synonyms:	FERRI(III)HEXACYANIDE
Definition date:	2006-10-19
Last modified:	2021-03-01
Identifier:	hexakis(cyano-kappaC)iron

IPA

IPA
Name:	ISOPROPYL ALCOHOL
Formula:	C3 H8 O
SMILES:	OC(C)C
InChi:	InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
Synonyms:	2-PROPANOL
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	propan-2-ol

N7I

N7I
Name:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
Formula:	C10 H12 O3
SMILES:	Oc1ccc(cc1OC)/C=C/CO
InChi:	InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
Synonyms:	Coniferyl alcohol
Definition date:	2010-06-02
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol

5VQ

5VQ
Name:	2-Propen-1-ol
Formula:	C3 H6 O
SMILES:	OCC=C
InChi:	InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
Synonyms:	allyl alcohol
Definition date:	2015-12-11
Last modified:	2021-03-01
Release date:	2016-04-06
Identifier:	prop-2-en-1-ol

B40

B40
Name:	(2S)-N-methyl-1-phenylpropan-2-amine
Formula:	C10 H15 N
SMILES:	N(C(Cc1ccccc1)C)C
InChi:	InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Synonyms:	Methamphetamine
Definition date:	2009-03-19
Last modified:	2021-03-01
Identifier:	(2S)-N-methyl-1-phenylpropan-2-amine

VOM

VOM
Name:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
Formula:	C21 H18 F N5 O2
SMILES:	c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C
InChi:	InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide

V8G

V8G
Name:	trans-4-butylcyclohexane-1-carboxylic acid
Formula:	C11 H20 O2
SMILES:	C1C(C(=O)O)CCC(C1)CCCC
InChi:	InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-
Definition date:	2020-07-16
Last modified:	2020-12-25
Release date:	2020-12-30
Identifier:	trans-4-butylcyclohexane-1-carboxylic acid

WRB

WRB
Name:	1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE
Formula:	C14 H20 Br N5 O2
SMILES:	Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2
InChi:	InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19)
Synonyms:	BROMO-WR99210
Definition date:	1999-11-29
Last modified:	2020-06-17
Identifier:	1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

TBU

TBU
Name:	TERTIARY-BUTYL ALCOHOL
Formula:	C4 H10 O
SMILES:	OC(C)(C)C
InChi:	InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
Synonyms:	2-METHYL-2-PROPANOL
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-methylpropan-2-ol

EDS

EDS
Name:	(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
Formula:	C25 H48 N6 O10
SMILES:	C1(C(NC(=O)C(CCN)O)CC(C(C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(O)(CO3)C)O
InChi:	InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1
Synonyms:	plazomicin
Definition date:	2018-01-02
Last modified:	2020-06-17
Release date:	2018-01-31
Identifier:	(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide

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