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PDB Info pages Status search Chemie search: 44240 results BIRD

A1JGB

A1JGB
Name:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide
Formula:	C21 H20 N2 O S
SMILES:	O=C(Cc1cccnc1)N(Cc2sccc2)C3Cc4ccccc4C3
InChi:	InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2
Definition date:	2025-06-11
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide

A1JGE

A1JGE
Name:	2-pyridin-3-ylquinazoline
Formula:	C13 H9 N3
SMILES:	c1ccc2nc(ncc2c1)c3cccnc3
InChi:	InChI=1S/C13H9N3/c1-2-6-12-10(4-1)9-15-13(16-12)11-5-3-7-14-8-11/h1-9H
Definition date:	2025-06-11
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	2-pyridin-3-ylquinazoline

A1JGF

A1JGF
Name:	[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine
Formula:	C18 H17 Cl N6
SMILES:	NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1
InChi:	InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2
Definition date:	2025-06-11
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine

A1JGO

A1JGO
Name:	1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea
Formula:	C17 H15 F N4 O S
SMILES:	Fc1ccc2SCC[CH](NC(=O)Nn3cnc4ccccc34)c2c1
InChi:	InChI=1S/C17H15FN4OS/c18-11-5-6-16-12(9-11)13(7-8-24-16)20-17(23)21-22-10-19-14-3-1-2-4-15(14)22/h1-6,9-10,13H,7-8H2,(H2,20,21,23)/t13-/m0/s1
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea

A1JGR

A1JGR
Name:	1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C17 H27 N3 O2
SMILES:	Cc1onc(CN(CCC2CCCCC2)C(=O)NC3CC3)c1
InChi:	InChI=1S/C17H27N3O2/c1-13-11-16(19-22-13)12-20(17(21)18-15-7-8-15)10-9-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,18,21)
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

A1JGU

A1JGU
Name:	3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione
Formula:	C16 H14 Br N3 O2
SMILES:	C[CH](N1CC(=O)N(C1=O)c2cncc(Br)c2)c3ccccc3
InChi:	InChI=1S/C16H14BrN3O2/c1-11(12-5-3-2-4-6-12)19-10-15(21)20(16(19)22)14-7-13(17)8-18-9-14/h2-9,11H,10H2,1H3/t11-/m1/s1
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione

A1JGV

A1JGV
Name:	1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione
Formula:	C15 H10 Br F2 N3 O2
SMILES:	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc(Br)c3)cc1F
InChi:	InChI=1S/C15H10BrF2N3O2/c16-10-4-11(6-19-5-10)21-14(22)8-20(15(21)23)7-9-1-2-12(17)13(18)3-9/h1-6H,7-8H2
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione

A1B8D

A1B8D
Name:	N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide
Formula:	C20 H16 N4 O5 S
SMILES:	COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc2nonc12
InChi:	InChI=1S/C20H16N4O5S/c1-28-15-8-10-16(11-9-15)30(26,27)24-14-5-2-4-13(12-14)20(25)21-17-6-3-7-18-19(17)23-29-22-18/h2-12,24H,1H3,(H,21,25)
Definition date:	2025-04-10
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide

A1CBI

A1CBI
Name:	1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone
Formula:	C10 H10 N2 O3
SMILES:	[O-][N+](=O)c1cc2CCN(c2cc1)C(C)=O
InChi:	InChI=1S/C10H10N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-3,6H,4-5H2,1H3
Definition date:	2025-05-07
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one

A1CBJ

A1CBJ
Name:	1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine
Formula:	C13 H21 N3
SMILES:	CC(C)N1CCN(Cc2ccccn2)CC1
InChi:	InChI=1S/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3-6,12H,7-11H2,1-2H3
Definition date:	2025-05-07
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine

A1CBL

A1CBL
Name:	1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine
Formula:	C14 H21 F N2
SMILES:	CC(C)N1CCN(Cc2ccccc2F)CC1
InChi:	InChI=1S/C14H21FN2/c1-12(2)17-9-7-16(8-10-17)11-13-5-3-4-6-14(13)15/h3-6,12H,7-11H2,1-2H3
Definition date:	2025-05-07
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine

A1CBM

A1CBM
Name:	2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol
Formula:	C9 H11 N3 O
SMILES:	Nc1cc2ncn(CCO)c2cc1
InChi:	InChI=1S/C9H11N3O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2
Definition date:	2025-05-07
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol

02X

02X
Name:	(2S)-2-(propan-2-yl)butanedioic acid
Formula:	C7 H12 O4
SMILES:	O=C(O)C(CC(=O)O)C(C)C
InChi:	InChI=1S/C7H12O4/c1-4(2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
Synonyms:	2-Isopropylmaleic acid
Definition date:	2011-07-12
Last modified:	2025-06-30
Identifier:	(2S)-2-(propan-2-yl)butanedioic acid

A1EMV

A1EMV
Name:	Silodosin
Formula:	C25 H32 F3 N3 O4
SMILES:	C[CH](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F
InChi:	InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
Definition date:	2025-03-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	1-(3-oxidanylpropyl)-5-[(2~{R})-2-[2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

A1EQV

A1EQV
Name:	Macimorelin
Formula:	C26 H30 N6 O3
SMILES:	CC(C)(N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](Cc3c[nH]c4ccccc34)NC=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
Synonyms:	2-azanyl-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Definition date:	2025-05-25
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[[(1~{R})-1-formamido-2-(1~{H}-indol-3-yl)ethyl]amino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1ESD

A1ESD
Name:	2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Formula:	C31 H42 N6 O3
SMILES:	CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccccc4
InChi:	InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31+/m1/s1
Definition date:	2025-06-24
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[(3~{S})-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

XMW

XMW
Name:	N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
Formula:	C16 H10 N4 O2 S2
SMILES:	s1c2cc3OCOc3cc2nc1Nc1nc(cs1)c1ccccn1
InChi:	InChI=1S/C16H10N4O2S2/c1-2-4-17-9(3-1)11-7-23-15(19-11)20-16-18-10-5-12-13(22-8-21-12)6-14(10)24-16/h1-7H,8H2,(H,18,19,20)
Definition date:	2023-11-03
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

PYR

PYR
Name:	PYRUVIC ACID
Formula:	C3 H4 O3
SMILES:	O=C(C(=O)O)C
InChi:	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
Definition date:	1999-07-08
Last modified:	2025-06-27
Identifier:	2-oxopropanoic acid

A1IFF

A1IFF
Name:	(R)-amino-3-hydroxybutanoic acid
Formula:	C4 H9 N O3
SMILES:	NC[CH](O)CC(O)=O
InChi:	InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
Synonyms:	(R)-GABOB
Definition date:	2024-06-21
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(3~{R})-4-azanyl-3-oxidanyl-butanoic acid

A1IFT

A1IFT
Name:	Hydrogenobyrinic acid a,c-diamide
Formula:	C45 H62 N6 O12
SMILES:	CC1=C2NC(=CC3=NC(=C(C)C4=N[CH]([CH](CC(O)=O)[C]4(C)CCC(O)=O)[C]5(C)N=C1[CH](CCC(O)=O)[C]5(C)CC(N)=O)[CH](CCC(O)=O)C3(C)C)[CH](CCC(O)=O)[C]2(C)CC(N)=O
InChi:	InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
Synonyms:	3-[(1~{R},2~{S},3~{S},5~{Z},7~{S},8~{S},9~{Z},13~{S},14~{Z},17~{R},18~{R},19~{R})-2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	3-[(1~{R},2~{S},3~{S},5~{Z},7~{S},8~{S},9~{Z},13~{S},14~{Z},17~{R},18~{R},19~{R})-2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid

A1IFY

A1IFY
Name:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid
Formula:	C19 H26 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)Nc1cnc(nc1)c2ccc(OC(C)C)cc2)[P](O)(O)=O
InChi:	InChI=1S/C19H26N3O5P/c1-12(2)9-17(28(24,25)26)19(23)22-15-10-20-18(21-11-15)14-5-7-16(8-6-14)27-13(3)4/h5-8,10-13,17H,9H2,1-4H3,(H,22,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid

A1IFZ

A1IFZ
Name:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C18 H21 Cl2 N2 O6 P S
SMILES:	CC(C)C[CH](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O
InChi:	InChI=1S/C18H21Cl2N2O6PS/c1-11(2)9-17(29(24,25)26)18(23)21-12-3-5-13(6-4-12)22-30(27,28)14-7-8-15(19)16(20)10-14/h3-8,10-11,17,22H,9H2,1-2H3,(H,21,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1IHV

A1IHV
Name:	[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone
Formula:	C28 H29 F N6 O S
SMILES:	Cc1cncc(c1)C(=O)N2C[CH]3CC[CH](C2)N3[CH](c4cccc(F)c4)c5cn(CCc6cscc6)nn5
InChi:	InChI=1S/C28H29FN6OS/c1-19-11-22(14-30-13-19)28(36)33-15-24-5-6-25(16-33)35(24)27(21-3-2-4-23(29)12-21)26-17-34(32-31-26)9-7-20-8-10-37-18-20/h2-4,8,10-14,17-18,24-25,27H,5-7,9,15-16H2,1H3/t24-,25+,27-/m1/s1
Definition date:	2024-07-09
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone

A1IJB

A1IJB
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C21 H27 N10 O9 P S
SMILES:	CSC[CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C21H27N10O9PS/c1-42-3-9-15(14(34)21(39-9)31-7-29-11-17(23)25-5-27-19(11)31)40-41(35,36)37-2-8-12(32)13(33)20(38-8)30-6-28-10-16(22)24-4-26-18(10)30/h4-9,12-15,20-21,32-34H,2-3H2,1H3,(H,35,36)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Definition date:	2024-07-29
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

A1IQU

A1IQU
Name:	~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide
Formula:	C18 H14 N3 O2
SMILES:	ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24
InChi:	InChI=1S/C18H13N3O2/c22-18(20-23)13-9-7-12(8-10-13)17-16-6-3-11-21(16)15-5-2-1-4-14(15)19-17/h1-11H,(H2,19,20,22,23)/p+1
Definition date:	2024-10-02
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-10-ium-4-yl)benzamide

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