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PDB Info pages Status search Chemie search: 39822 results BIRD

ZRU

ZRU
Name:	(8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C17 H19 N7 O2
SMILES:	COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1CC1
InChi:	InChI=1S/C17H19N7O2/c1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23)
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZS3

ZS3
Name:	(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C21 H18 F2 N8 O2
SMILES:	Fc1cccnc1N1C=CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1=O
InChi:	InChI=1S/C21H18F2N8O2/c1-24-17-9-16(29-18-11(10-26-31(17)18)20(32)28-15-8-13(15)23)27-14-5-3-7-30(21(14)33)19-12(22)4-2-6-25-19/h2-7,9-10,13,15,24H,8H2,1H3,(H,27,29)(H,28,32)/t13-,15+/m0/s1
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZSB

ZSB
Name:	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C23 H24 N8 O3
SMILES:	COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC
InChi:	InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1
Synonyms:	TAK-279
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZTQ

ZTQ
Name:	(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
Formula:	C15 H14 O3
SMILES:	CC(Oc1ccc(cc1)c1ccccc1)C(=O)O
InChi:	InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid

ZU7

ZU7
Name:	N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
Formula:	C12 H16 F N3 O
SMILES:	O=C(CN1CCNCC1)Nc1ccc(F)cc1
InChi:	InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide

ZUC

ZUC
Name:	3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
Formula:	C13 H11 F N2 O2
SMILES:	O=C(Nc1c(C)cccc1O)c1ccncc1F
InChi:	InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide

ZUG

ZUG
Name:	N,N-dimethylpyridine-3-sulfonamide
Formula:	C7 H10 N2 O2 S
SMILES:	O=S(=O)(c1cccnc1)N(C)C
InChi:	InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N,N-dimethylpyridine-3-sulfonamide

ZUZ

ZUZ
Name:	methyl N-(cyclohexanecarbonyl)glycinate
Formula:	C10 H17 N O3
SMILES:	O=C(NCC(=O)OC)C1CCCCC1
InChi:	InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	methyl N-(cyclohexanecarbonyl)glycinate

ZV2

ZV2
Name:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
Formula:	C11 H11 F N3 O S
SMILES:	Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
InChi:	InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

ZV5

ZV5
Name:	(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione
Formula:	C7 H11 N3 O2
SMILES:	O=C1NC(=O)NC21CCCNC2
InChi:	InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione

ZV8

ZV8
Name:	2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Formula:	C11 H17 N3
SMILES:	CC(C)(C)c1ncc2CNCCc2n1
InChi:	InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

ZVB

ZVB
Name:	2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
Formula:	C10 H12 N2
SMILES:	CC(C)c1cc2ncccc2[NH]1
InChi:	InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine

ZVE

ZVE
Name:	(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
Formula:	C10 H14 F3 N3
SMILES:	Cn1cc(nc1C1CNCCC1)C(F)(F)F
InChi:	InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

ZVH

ZVH
Name:	(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
Formula:	C10 H12 O2 S
SMILES:	O=C(O)C1CCCC1c1ccsc1
InChi:	InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m0/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid

ZVK

ZVK
Name:	ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate
Formula:	C12 H18 N2 S
SMILES:	CNC(/SCC)=N/c1ccc(cc1)CC
InChi:	InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate

ULX

ULX
Name:	[4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol
Formula:	C29 H31 F3 N4 O3
SMILES:	FC(F)(F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)cc1N(O)O
InChi:	InChI=1S/C29H31F3N4O3/c30-29(31,32)23-8-5-20(6-9-23)14-28(18-34-26-10-7-21(17-37)13-27(26)36(38)39)11-12-35(19-28)16-22-15-33-25-4-2-1-3-24(22)25/h1-10,13,15,33-34,37-39H,11-12,14,16-19H2/t28-/m0/s1
Definition date:	2022-08-23
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	[3-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol

UMI

UMI
Name:	[2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol
Formula:	C29 H31 F3 N4 O3
SMILES:	FC(F)(F)c1cccc(c1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)N(O)O
InChi:	InChI=1S/C29H31F3N4O3/c30-29(31,32)23-5-3-4-20(12-23)14-28(18-34-24-9-8-21(17-37)27(13-24)36(38)39)10-11-35(19-28)16-22-15-33-26-7-2-1-6-25(22)26/h1-9,12-13,15,33-34,37-39H,10-11,14,16-19H2/t28-/m0/s1
Definition date:	2022-08-23
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	[2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol

WWU

WWU
Name:	1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide
Formula:	C38 H42 N10 O9
SMILES:	CCc1nc(C)oc1C(=O)Nc1nc2cc(cc(OCCCO)c2n1CC=CCn1c2c(OC)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O
InChi:	InChI=1S/C38H42N10O9/c1-6-23-31(56-19(3)41-23)35(52)45-37-43-25-15-21(33(39)50)17-27(54-5)29(25)47(37)11-8-9-12-48-30-26(16-22(34(40)51)18-28(30)55-14-10-13-49)44-38(48)46-36(53)32-24(7-2)42-20(4)57-32/h8-9,15-18,49H,6-7,10-14H2,1-5H3,(H2,39,50)(H2,40,51)(H,43,45,52)(H,44,46,53)/b9-8+
Definition date:	2023-05-21
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide

WX8

WX8
Name:	3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide
Formula:	C36 H39 N11 O8
SMILES:	CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1CC=CCn1c2c(OCCCO)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O
InChi:	InChI=1S/C36H39N11O8/c1-5-22-28(54-18(3)40-22)33(51)44-35-42-24-14-20(30(37)49)16-26(53-13-9-12-48)27(24)46(35)10-7-8-11-47-32-25(15-21(17-39-32)31(38)50)43-36(47)45-34(52)29-23(6-2)41-19(4)55-29/h7-8,14-17,48H,5-6,9-13H2,1-4H3,(H2,37,49)(H2,38,50)(H,42,44,51)(H,43,45,52)/b8-7+
Definition date:	2023-05-21
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide

YBZ

YBZ
Name:	(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
Formula:	C9 H7 N3 S
SMILES:	N=Cc1sc(nn1)c2ccccc2
InChi:	InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:	2023-06-13
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

ZHO

ZHO
Name:	~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
Formula:	C26 H29 N9
SMILES:	CNc1nc(cn2c(C)nnc12)c3nc4ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6
InChi:	InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)
Definition date:	2023-06-23
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

YHB

YHB
Name:	N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide
Formula:	C43 H50 N10 O5 S
SMILES:	Cc1ncsc1c1ccc(cc1)C(C)NC(=O)C1CC(O)CN1C(=O)C(NC(=O)c1ccnc(c1)N1CCN(CC1)c1cc(nnc1N)c1ccccc1O)C(C)(C)C
InChi:	InChI=1S/C43H50N10O5S/c1-25(27-10-12-28(13-11-27)37-26(2)46-24-59-37)47-41(57)34-21-30(54)23-53(34)42(58)38(43(3,4)5)48-40(56)29-14-15-45-36(20-29)52-18-16-51(17-19-52)33-22-32(49-50-39(33)44)31-8-6-7-9-35(31)55/h6-15,20,22,24-25,30,34,38,54-55H,16-19,21,23H2,1-5H3,(H2,44,50)(H,47,57)(H,48,56)/t25-,30+,34-,38+/m0/s1
Definition date:	2023-02-03
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N-(2-{4-[(6M)-3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}pyridine-4-carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

W38

W38
Name:	5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine
Formula:	C21 H26 F3 N5 O2
SMILES:	CC(C)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5
InChi:	InChI=1S/C21H26F3N5O2/c1-13(2)18-27-15(14-7-16(17(25)26-8-14)31-21(22,23)24)9-29(18)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)/t19-,20+
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine

W3C

W3C
Name:	(1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol
Formula:	C16 H13 F7 N4 O2
SMILES:	Nc1ncc(cc1OC(F)(F)F)c2cn(c(n2)[CH](O)C(F)(F)F)C34CC(F)(C3)C4
InChi:	InChI=1S/C16H13F7N4O2/c17-13-4-14(5-13,6-13)27-3-8(26-12(27)10(28)15(18,19)20)7-1-9(11(24)25-2-7)29-16(21,22)23/h1-3,10,28H,4-6H2,(H2,24,25)/t10-,13-,14+/m1/s1
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1~{R})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol

W3I

W3I
Name:	(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
Formula:	C22 H28 F3 N5 O3
SMILES:	CC(C)[CH](O)c1nc(cn1C23CC(C2)(C3)N4CCOCC4)c5cnc(N)c(OC(F)(F)F)c5
InChi:	InChI=1S/C22H28F3N5O3/c1-13(2)17(31)19-28-15(14-7-16(18(26)27-8-14)33-22(23,24)25)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)/t17-,20-,21+/m0/s1
Definition date:	2023-04-26
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(1~{S})-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol

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222415

數據於2024-07-10公開中

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