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PDB Info pages Status search Chemie search: 43859 results BIRD

A1I6Z

A1I6Z
Name:	Zidesamtinib
Formula:	C22 H22 F N7 O
SMILES:	CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12
InChi:	InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
Definition date:	2025-03-19
Last modified:	2025-04-25
Release date:	2025-04-30

A1L1B

A1L1B
Name:	(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide
Formula:	C30 H29 F N4 O3
SMILES:	C[CH](O)C(=O)N(c1ccc(nc1)c2ccccc2)[C](C)(C(=O)N[CH](C)c3ccc(F)cc3)c4cccnc4
InChi:	InChI=1S/C30H29FN4O3/c1-20(22-11-13-25(31)14-12-22)34-29(38)30(3,24-10-7-17-32-18-24)35(28(37)21(2)36)26-15-16-27(33-19-26)23-8-5-4-6-9-23/h4-21,36H,1-3H3,(H,34,38)/t20-,21+,30+/m0/s1
Definition date:	2024-04-26
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(2~{R})-~{N}-[(1~{S})-1-(4-fluorophenyl)ethyl]-2-[[(2~{R})-2-oxidanylpropanoyl]-(6-phenylpyridin-3-yl)amino]-2-pyridin-3-yl-propanamide

A1L1R

A1L1R
Name:	~{N}-(7-methyl-1,8-naphthyridin-2-yl)-2-[[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanamide
Formula:	C22 H21 N7 O2
SMILES:	Cc1ccc2ccc(NC(=O)CNCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChi:	InChI=1S/C22H21N7O2/c1-13-3-5-15-7-9-17(28-21(15)24-13)26-19(30)11-23-12-20(31)27-18-10-8-16-6-4-14(2)25-22(16)29-18/h3-10,23H,11-12H2,1-2H3,(H,24,26,28,30)(H,25,27,29,31)
Definition date:	2024-05-09
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	~{N}-(7-methyl-1,8-naphthyridin-2-yl)-2-[[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanamide

A1L4V

A1L4V
Name:	2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid
Formula:	C18 H17 N3 O6 S
SMILES:	CC(C)(NC(=O)C1=C(O)c2ccccc2N(OCc3cscn3)C1=O)C(O)=O
InChi:	InChI=1S/C18H17N3O6S/c1-18(2,17(25)26)20-15(23)13-14(22)11-5-3-4-6-12(11)21(16(13)24)27-7-10-8-28-9-19-10/h3-6,8-9,22H,7H2,1-2H3,(H,20,23)(H,25,26)
Definition date:	2024-10-09
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid

A1BCY

A1BCY
Name:	N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C21 H28 N4 O5 S
SMILES:	CS(=O)(=O)CCC(C=N)NC(=O)C(CC1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1
InChi:	InChI=1S/C21H28N4O5S/c1-30-19-5-3-4-16-15(19)11-18(24-16)21(27)25-17(10-13-6-7-13)20(26)23-14(12-22)8-9-31(2,28)29/h3-5,11-14,17,22,24H,6-10H2,1-2H3,(H,23,26)(H,25,27)/b22-12+/t14-,17-/m0/s1
Definition date:	2024-10-07
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

A1BCZ

A1BCZ
Name:	N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C23 H29 N5 O4
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C23H29N5O4/c1-32-20-4-2-3-17-16(20)11-19(27-17)23(31)28-18(9-13-5-6-13)22(30)26-15(12-24)10-14-7-8-25-21(14)29/h2-4,11-15,18,24,27H,5-10H2,1H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15+,18-/m0/s1
Definition date:	2024-10-07
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

A1B8B

A1B8B
Name:	6-(4-methylpiperazin-1-yl)-3-phenyl-4-(pyridin-4-yl)pyridazine
Formula:	C20 H21 N5
SMILES:	CN1CCN(CC1)c1nnc(c2ccccc2)c(c1)c1ccncc1
InChi:	InChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
Definition date:	2025-04-09
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	6-(4-methylpiperazin-1-yl)-3-phenyl-4-(pyridin-4-yl)pyridazine

A1A0A

A1A0A
Name:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Formula:	C18 H19 F4 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1
InChi:	InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine

A1A0B

A1A0B
Name:	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine
Formula:	C14 H15 F2 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cc(F)c1F
InChi:	InChI=1S/C14H15F2N3/c1-8-3-12(19-13(17)4-8)10-5-9(7-18-2)6-11(15)14(10)16/h3-6,18H,7H2,1-2H3,(H2,17,19)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine

A1A0E

A1A0E
Name:	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine
Formula:	C13 H16 N4
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cnc1
InChi:	InChI=1S/C13H16N4/c1-9-3-12(17-13(14)4-9)11-5-10(6-15-2)7-16-8-11/h3-5,7-8,15H,6H2,1-2H3,(H2,14,17)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine

A1A0F

A1A0F
Name:	(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine
Formula:	C15 H16 F3 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cc(c1)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine

A1A3F

A1A3F
Name:	(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile
Formula:	C15 H16 N4
SMILES:	Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1
InChi:	InChI=1S/C15H16N4/c1-10-3-14(19-15(17)4-10)13-6-11(8-16)5-12(7-13)9-18-2/h3-7,18H,9H2,1-2H3,(H2,17,19)
Definition date:	2024-08-23
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile

A1A8T

A1A8T
Name:	3-methyl-L-isovaline
Formula:	C6 H13 N O2
SMILES:	CC(C)C(C)(N)C(=O)O
InChi:	InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1
Definition date:	2024-09-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	3-methyl-L-isovaline

PKX

PKX
Name:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide
Formula:	C32 H34 N6 O4
SMILES:	Cc1cc(C#N)cc(C)c1Oc1nc(nc2cc(OC)c(OC)cc21)NC1CCN(Cc2ccc(cc2)C(N)=O)CC1
InChi:	InChI=1S/C32H34N6O4/c1-19-13-22(17-33)14-20(2)29(19)42-31-25-15-27(40-3)28(41-4)16-26(25)36-32(37-31)35-24-9-11-38(12-10-24)18-21-5-7-23(8-6-21)30(34)39/h5-8,13-16,24H,9-12,18H2,1-4H3,(H2,34,39)(H,35,36,37)
Definition date:	2022-05-27
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide

B7M

B7M
Name:	(10E,12Z)-hexadeca-10,12-dienal
Formula:	C16 H28 O
SMILES:	O=CCCCCCCCCC=CC=C/CCC
InChi:	InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
Definition date:	2009-03-12
Last modified:	2025-04-24
Identifier:	(10E,12Z)-hexadeca-10,12-dienal

HY1

HY1
Name:	PHENYLACETALDEHYDE
Formula:	C8 H8 O
SMILES:	O=CCc1ccccc1
InChi:	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Definition date:	1999-08-26
Last modified:	2025-04-22
Identifier:	phenylacetaldehyde

Y7Z

Y7Z
Name:	UCL1684
Formula:	C34 H30 N4
SMILES:	C1Nc2cc[n](Cc3cccc(C[n]4ccc(NCc5ccc1cc5)c6ccccc46)c3)c7ccccc27
InChi:	InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2
Definition date:	2023-11-28
Last modified:	2025-04-18
Release date:	2025-04-23

A1BZA

A1BZA
Name:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
Formula:	C17 H10 Cl F3 N2 O2
SMILES:	Clc1cccc(c1)C(=O)Nc1cc(cc(c1)c1cnco1)C(F)(F)F
InChi:	InChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)
Definition date:	2025-03-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide

A1BZB

A1BZB
Name:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide
Formula:	C18 H17 Cl N2 O3 S
SMILES:	Clc1cccc(c1)S(=O)(=O)N(c1cccc(c1)c1cnco1)C(C)C
InChi:	InChI=1S/C18H17ClN2O3S/c1-13(2)21(25(22,23)17-8-4-6-15(19)10-17)16-7-3-5-14(9-16)18-11-20-12-24-18/h3-13H,1-2H3
Definition date:	2025-03-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide

A1IGZ

A1IGZ
Name:	N-(2-(3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl)ethyl)-2-oxo-2,3-dihydrobenzo[d]oxazole-6-carboxamide
Formula:	C32 H31 F N8 O5 S2
SMILES:	CN(c1scc(n1)c2ccc(F)cc2)c3n4nc(ccc4nc3CCNC(=O)c5ccc6NC(=O)Oc6c5)C7CCN(CC7)[S](C)(=O)=O
InChi:	InChI=1S/C32H31FN8O5S2/c1-39(31-36-26(18-47-31)19-3-6-22(33)7-4-19)30-25(11-14-34-29(42)21-5-8-24-27(17-21)46-32(43)37-24)35-28-10-9-23(38-41(28)30)20-12-15-40(16-13-20)48(2,44)45/h3-10,17-18,20H,11-16H2,1-2H3,(H,34,42)(H,37,43)
Synonyms:	N-[2-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methyl-amino]-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-carboxamide
Definition date:	2024-07-02
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[2-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methyl-amino]-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxamide

A1I57

A1I57
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C27 H35 F N4 O4 S
SMILES:	C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C
InChi:	InChI=1S/C27H35FN4O4S/c1-15(17-6-8-18(9-7-17)21-16(2)29-14-37-21)30-23(34)20-12-19(33)13-32(20)24(35)22(26(3,4)5)31-25(36)27(28)10-11-27/h6-9,14-15,19-20,22,33H,10-13H2,1-5H3,(H,30,34)(H,31,36)/t15-,19+,20-,22+/m0/s1
Definition date:	2025-03-17
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1I58

A1I58
Name:	(2~{S},4~{R})-1-[(2~{S})-1-(1-fluoranylcyclopropyl)carbonylpiperidin-2-yl]carbonyl-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C27 H33 F N4 O4 S
SMILES:	C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH]2CCCCN2C(=O)C3(F)CC3)c4ccc(cc4)c5scnc5C
InChi:	InChI=1S/C27H33FN4O4S/c1-16(18-6-8-19(9-7-18)23-17(2)29-15-37-23)30-24(34)22-13-20(33)14-32(22)25(35)21-5-3-4-12-31(21)26(36)27(28)10-11-27/h6-9,15-16,20-22,33H,3-5,10-14H2,1-2H3,(H,30,34)/t16-,20+,21-,22-/m0/s1
Definition date:	2025-03-17
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2~{S},4~{R})-1-[(2~{S})-1-(1-fluoranylcyclopropyl)carbonylpiperidin-2-yl]carbonyl-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1IER

A1IER
Name:	(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol
Formula:	C16 H12 Cl N5 O
SMILES:	O[CH](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34
InChi:	InChI=1S/C16H12ClN5O/c17-11-6-13-8-18-10-21(13)15(7-11)16(23)14-9-22(20-19-14)12-4-2-1-3-5-12/h1-10,16,23H
Definition date:	2024-06-14
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

A1L1E

A1L1E
Name:	NE52-QQ57
Formula:	C24 H28 N6 O
SMILES:	CCc1nn2c(C)cc(C)nc2c1Cc3ccc(cc3)c4oc(nn4)C5CCNCC5
InChi:	InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
Synonyms:	2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole
Definition date:	2024-05-01
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole

A1L6M

A1L6M
Name:	3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C48 H62 N4 O8
SMILES:	CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)[CH](O)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC(O)=O)c2C
InChi:	InChI=1S/C48H62N4O8/c1-9-33-31(7)47(59)52-39(33)23-37-30(6)34(19-21-44(55)56)40(49-37)25-41-35(20-22-45(57)58)36(26-53)42(50-41)24-38-32(8)46(48(60)51-38)43(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3/h13,15,17,23-25,43,49,53-54H,9-12,14,16,18-22,26H2,1-8H3,(H,51,60)(H,52,59)(H,55,56)(H,57,58)/b28-15-,29-17+,38-24-,39-23-,41-25-/t43-/m0/s1
Definition date:	2024-12-04
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

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