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PDB Info pages Status search Chemie search: 43821 results BIRD

YRI

YRI
Name:	(6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one
Formula:	C30 H32 Br2 N4 O3
SMILES:	Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccc(Br)c(Br)c3)n(C3CCC(OC)CC3)c2cc1
InChi:	InChI=1S/C30H32Br2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22+,27-/m0/s1
Definition date:	2023-02-16
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one

ZWG

ZWG
Name:	N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide
Formula:	C19 H22 N4 O
SMILES:	CC(C)CC(N)C(=O)Nc1ccc(cc1)c1ccnc2[NH]ccc12
InChi:	InChI=1S/C19H22N4O/c1-12(2)11-17(20)19(24)23-14-5-3-13(4-6-14)15-7-9-21-18-16(15)8-10-22-18/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1
Definition date:	2023-04-11
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide

U9O

U9O
Name:	5-azanyl-1-oxidanyl-pentan-2-one
Formula:	C5 H11 N O2
SMILES:	NCCCC(=O)CO
InChi:	InChI=1S/C5H11NO2/c6-3-1-2-5(8)4-7/h7H,1-4,6H2
Definition date:	2023-08-31
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	5-azanyl-1-oxidanyl-pentan-2-one

UA9

UA9
Name:	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate
Formula:	C40 H56 N4 O7
SMILES:	COC1=CC(=O)N([CH]1Cc2ccccc2)C(=O)CC[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)OC(=O)[CH](Cc3ccccc3)N(C)C
InChi:	InChI=1S/C40H56N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-18,25-28,31-33,35H,19-24H2,1-8H3,(H,41,47)(H,42,48)/t28-,31-,32-,33-,35-/m0/s1
Definition date:	2023-01-31
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S})-2-(dimethylamino)-3-phenyl-propanoate

WG5

WG5
Name:	4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid
Formula:	C18 H10 F3 N O3 S2
SMILES:	S=C1SC(=C/c2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
Definition date:	2023-10-03
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid

RK3

RK3
Name:	(1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol
Formula:	C17 H21 N5 O13 P2
SMILES:	O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn6cnc45
InChi:	InChI=1S/C17H21N5O13P2/c23-10-7-3-30-36(26,27)35-37(28,29)31-4-8-13(34-17(33-7)11(10)24)12(25)16(32-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-25H,3-4H2,(H,26,27)(H,28,29)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1
Synonyms:	1''-3'gc(etheno)ADPR
Definition date:	2022-11-30
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(1~{S},3~{S},4~{R},5~{R},7~{R},15~{R},16~{S},17~{R})-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol

A1H0F

A1H0F
Name:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
Formula:	C5 H8 F2 O3
SMILES:	OC[CH]1OCC(F)(F)[CH]1O
InChi:	InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
Definition date:	2023-12-15
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol

A1H4B

A1H4B
Name:	3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid
Formula:	C23 H22 N6 O5 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5cccnc5)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C23H22N6O5S/c24-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(34-22)9-35-8-12-4-14(6-15(5-12)23(32)33)13-2-1-3-25-7-13/h1-7,10-11,16,18-19,22,30-31H,8-9H2,(H,32,33)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1
Synonyms:	3-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-5-(pyridin-3-yl)benzoic acid
Definition date:	2024-02-13
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid

C55

C55
Name:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid
Formula:	C8 H11 N3 O7
SMILES:	O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O
InChi:	InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+
Definition date:	2024-02-15
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic acid (non-preferred name)

I0B

I0B
Name:	5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine
Formula:	C30 H38 Br N11 O4
SMILES:	Brc1cccc(c1)NC(=N)NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C30H38BrN11O4/c31-20-8-4-9-21(14-20)40-29(33)34-10-5-12-41(13-11-35-30(45)36-15-19-6-2-1-3-7-19)16-22-24(43)25(44)28(46-22)42-18-39-23-26(32)37-17-38-27(23)42/h1-4,6-9,14,17-18,22,24-25,28,43-44H,5,10-13,15-16H2,(H2,32,37,38)(H3,33,34,40)(H2,35,36,45)/t22-,24-,25-,28-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine

I6I

I6I
Name:	N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid
Formula:	C32 H38 F N7 O12
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(cc1F)CCCCn1ccc2NC(N)=NC(=O)c21)C(=O)O)C(=O)O
InChi:	InChI=1S/C32H38FN7O12/c33-18-15-16(3-1-2-13-40-14-12-19-26(40)28(46)39-32(34)38-19)4-5-17(18)27(45)37-22(31(51)52)7-10-24(42)35-20(29(47)48)6-9-23(41)36-21(30(49)50)8-11-25(43)44/h4-5,12,14-15,20-22H,1-3,6-11,13H2,(H,35,42)(H,36,41)(H,37,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H3,34,38,39,46)/t20-,21+,22+/m0/s1
Definition date:	2023-07-27
Last modified:	2024-02-16
Release date:	2024-02-21
Identifier:	N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid

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:	2024-02-09
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

YSQ

YSQ
Name:	4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)
Formula:	C29 H25 N7 O2
SMILES:	O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21
InChi:	InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2
Definition date:	2023-02-17
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)

XWH

XWH
Name:	4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine
Formula:	C9 H6 F3 N3
SMILES:	FC(F)(F)c1cc([NH]n1)c1ccncc1
InChi:	InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine

XWZ

XWZ
Name:	5-bromopyridin-3-amine
Formula:	C5 H5 Br N2
SMILES:	Nc1cncc(Br)c1
InChi:	InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-bromopyridin-3-amine

WJ5

WJ5
Name:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide
Formula:	C21 H23 Cl2 N3 O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CN(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl
InChi:	InChI=1S/C21H23Cl2N3O3S/c1-14-2-6-19(7-3-14)30(28,29)26-12-16-10-25(11-17(16)13-26)21(27)24-9-15-4-5-18(22)8-20(15)23/h2-8,16-17H,9-13H2,1H3,(H,24,27)/t16-,17+
Synonyms:	1''-3'gc(etheno)ADPR
Definition date:	2023-10-05
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide

XXN

XXN
Name:	(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C8 H5 Cl2 N O2
SMILES:	Clc1ccc(Cl)c2c1NC(=O)C2O
InChi:	InChI=1S/C8H5Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)/t7-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one

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:	2024-02-09
Release date:	2024-02-14
Identifier:	7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one

XZE

XZE
Name:	(pyridin-2-yl)(quinolin-2-yl)methanone
Formula:	C15 H10 N2 O
SMILES:	O=C(c1ccc2ccccc2n1)c1ccccn1
InChi:	InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(pyridin-2-yl)(quinolin-2-yl)methanone

XZI

XZI
Name:	N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide
Formula:	C14 H15 N O2
SMILES:	CN(C)C(=O)COc1ccc2ccccc2c1
InChi:	InChI=1S/C14H15NO2/c1-15(2)14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide

ZL6

ZL6
Name:	2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid
Formula:	C28 H33 N3 O3
SMILES:	CCc1cc(cc(CC)c1Nc2cccc(CN3CCCOCC3)c2C(O)=O)c4ccncc4
InChi:	InChI=1S/C28H33N3O3/c1-3-20-17-24(22-9-11-29-12-10-22)18-21(4-2)27(20)30-25-8-5-7-23(26(25)28(32)33)19-31-13-6-15-34-16-14-31/h5,7-12,17-18,30H,3-4,6,13-16,19H2,1-2H3,(H,32,33)
Definition date:	2023-03-30
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid

XZO

XZO
Name:	1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
Formula:	C10 H7 Cl2 N O2
SMILES:	Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O
InChi:	InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

XZT

XZT
Name:	1-(2,4-difluorophenyl)pyrrolidine-2,5-dione
Formula:	C10 H7 F2 N O2
SMILES:	Fc1cc(F)c(cc1)N1C(=O)CCC1=O
InChi:	InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-(2,4-difluorophenyl)pyrrolidine-2,5-dione

XZX

XZX
Name:	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide
Formula:	C9 H9 Cl2 N O2
SMILES:	Clc1cc(NC(=O)C(C)O)cc(Cl)c1
InChi:	InChI=1S/C9H9Cl2NO2/c1-5(13)9(14)12-8-3-6(10)2-7(11)4-8/h2-5,13H,1H3,(H,12,14)/t5-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide

Y0C

Y0C
Name:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
Formula:	C9 H8 F N O S
SMILES:	O=C1NC(SC1)c1ccccc1F
InChi:	InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

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223532

數據於2024-08-07公開中

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