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PDB Info pages Status search Chemie search: 43495 results BIRD

YB3

YB3
Name:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
Formula:	C21 H21 F N6
SMILES:	CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4
InChi:	InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3
Definition date:	2023-11-30
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

WVK

WVK
Name:	(2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide
Formula:	C11 H9 N3 O S
SMILES:	O=C(/C=C/c1cccs1)Nc1ncccn1
InChi:	InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+
Definition date:	2023-10-16
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide

YW0

YW0
Name:	methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Formula:	C20 H27 N3 O4
SMILES:	C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
InChi:	InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)
Definition date:	2023-06-22
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate

WYC

WYC
Name:	2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid
Formula:	C18 H12 Cl F6 N O3 S
SMILES:	OC(=O)c1cc(Cl)ccc1NC(=O)CSCc2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C18H12ClF6NO3S/c19-12-1-2-14(13(6-12)16(28)29)26-15(27)8-30-7-9-3-10(17(20,21)22)5-11(4-9)18(23,24)25/h1-6H,7-8H2,(H,26,27)(H,28,29)
Definition date:	2023-05-23
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]ethanoylamino]-5-chloranyl-benzoic acid

YWQ

YWQ
Name:	uridine 5'-heptaphosphate
Formula:	C9 H19 N2 O27 P7
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O
InChi:	InChI=1S/C9H19N2O27P7/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(32-8)3-31-40(19,20)34-42(23,24)36-44(27,28)38-45(29,30)37-43(25,26)35-41(21,22)33-39(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,10,12,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1
Definition date:	2023-03-02
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	1-{5-O-[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-beta-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione

M3X

M3X
Name:	(2~{S})-2-azanyl-6-[[4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid
Formula:	C15 H27 N5 O9 P
SMILES:	N[CH](CCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(O)=O
InChi:	InChI=1S/C15H26N5O9P/c16-8(14(23)24)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(22)11(21)9(29-13)7-28-30(25,26)27/h4,6,8-9,11-13,21-22H,1-3,5,7,16H2,(H5,17,18,19,23,24,25,26,27)/p+1/t8-,9+,11+,12+,13+/m0/s1
Synonyms:	lysidine 5'-monophosphate
Definition date:	2022-12-22
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(2~{S})-2-azanyl-6-[[4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]amino]hexanoic acid

XG7

XG7
Name:	3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide
Formula:	C18 H18 N4 O2
SMILES:	CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3
InChi:	InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23)
Synonyms:	3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Definition date:	2023-11-01
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	3-azanyl-~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

YIJ

YIJ
Name:	(1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate
Formula:	C31 H39 N O6
SMILES:	CC(OC(=O)c1ccccc1)C1=CCC23OCCN(C)CC13CC(O)C13OC4(O)CC(CC=C12)C3(C)CC4
InChi:	InChI=1S/C31H39NO6/c1-20(37-26(34)21-7-5-4-6-8-21)23-11-12-30-24-10-9-22-17-29(35)14-13-27(22,2)31(24,38-29)25(33)18-28(23,30)19-32(3)15-16-36-30/h4-8,10-11,20,22,25,33,35H,9,12-19H2,1-3H3/t20-,22-,25-,27+,28+,29-,30+,31+/m1/s1
Definition date:	2023-06-19
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(1R)-1-[(5aR,7aR,9R,11aS,11bS,12R,13aR)-9,12-dihydroxy-2,11a-dimethyl-1,2,3,4,7a,8,9,10,11,11a,12,13-dodecahydro-7H-9,11b-epoxy-13a,5a-prop[1]enophenanthro[2,1-f][1,4]oxazepin-14-yl]ethyl benzoate

X1Q

X1Q
Name:	~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
Formula:	C19 H21 N5
SMILES:	CCNCc1nnnn1C=Cc2cccc(c2C)c3ccccc3
InChi:	InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+
Definition date:	2023-05-30
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine

UR9

UR9
Name:	(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid
Formula:	C5 H6 O4
SMILES:	COC(=O)C=CC(O)=O
InChi:	InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
Synonyms:	Monomethyl fumarate
Definition date:	2023-06-18
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(~{E})-4-methoxy-4-oxidanylidene-but-2-enoic acid

XJR

XJR
Name:	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Formula:	C20 H21 N3 O4
SMILES:	COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1
InChi:	InChI=1S/C20H21N3O4/c1-14-19(20(25)23(22(14)2)15-7-5-4-6-8-15)21-18(24)13-27-17-11-9-16(26-3)10-12-17/h4-12H,13H2,1-3H3,(H,21,24)
Synonyms:	N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide
Definition date:	2023-11-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide

XKQ

XKQ
Name:	methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Formula:	C24 H40 F2 N4 O6
SMILES:	CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C
InChi:	InChI=1S/C24H40F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-18,31H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,17+,18+/m0/s1
Definition date:	2023-11-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)

ZR0

ZR0
Name:	4-bromobenzene-1,3-dicarboxylic acid
Formula:	C8 H5 Br O4
SMILES:	OC(=O)c1cc(ccc1Br)C(=O)O
InChi:	InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	4-bromobenzene-1,3-dicarboxylic acid

ZR3

ZR3
Name:	2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Formula:	C10 H9 Cl N2 O3
SMILES:	O=C(O)c1cc(ccc1Cl)N1CCNC1=O
InChi:	InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid

ZR6

ZR6
Name:	2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)c1cccc(c1C)N1CCNC1=O
InChi:	InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid

ZR9

ZR9
Name:	2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
Formula:	C9 H6 N2 O4
SMILES:	O=C(O)c1ccc2NC(=O)NC(=O)c2c1
InChi:	InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid

ZRE

ZRE
Name:	7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Formula:	C10 H8 F N O3
SMILES:	O=C(O)c1cc2CCC(=O)Nc2cc1F
InChi:	InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

ZRI

ZRI
Name:	(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
Formula:	C9 H9 N O2
SMILES:	O=C(O)C1CC1c1ccccn1
InChi:	InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid

YMC

YMC
Name:	4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol
Formula:	C19 H14 N2 O3
SMILES:	Oc1cccc(c1)c2ccc(Nc3cccc4onc(O)c34)cc2
InChi:	InChI=1S/C19H14N2O3/c22-15-4-1-3-13(11-15)12-7-9-14(10-8-12)20-16-5-2-6-17-18(16)19(23)21-24-17/h1-11,20,22H,(H,21,23)
Synonyms:	4-[(3'-hydroxy[1,1'-biphenyl]-4-yl)amino]-1,2-benzoxazol-3-ol
Definition date:	2023-12-05
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol

ZRZ

ZRZ
Name:	3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
Formula:	C16 H19 N O4
SMILES:	O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1
InChi:	InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20)
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid

ZS5

ZS5
Name:	(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
Formula:	C13 H13 N O3 S
SMILES:	O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1
InChi:	InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1
Definition date:	2023-07-03
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid

Y53

Y53
Name:	5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
Formula:	C22 H27 N5 O2
SMILES:	CC1(C)CC(CC(C)(C)N1)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4
InChi:	InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
Definition date:	2023-11-21
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol

Y59

Y59
Name:	7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one
Formula:	C22 H24 N7 O
SMILES:	Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5
InChi:	InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30)
Definition date:	2023-11-21
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one

X83

X83
Name:	methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Formula:	C24 H41 F N4 O6
SMILES:	CNC(=O)C(O)C(CCC(C)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C
InChi:	InChI=1S/C24H41FN4O6/c1-13(25)10-11-16(18(30)21(32)26-5)27-20(31)17-15-9-7-8-14(15)12-29(17)22(33)19(24(2,3)4)28-23(34)35-6/h13-19,30H,7-12H2,1-6H3,(H,26,32)(H,27,31)(H,28,34)/t13-,14+,15+,16+,17+,18-,19-/m1/s1
Definition date:	2023-10-24
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)

Q1L

Q1L
Name:	(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C24 H20 F3 N7 O4 S
SMILES:	Cc1sc2cc(ccc2n1)n3ncnc3[CH]4O[CH](CO)[CH](O)[CH]([CH]4O)n5cc(nn5)c6cc(F)c(F)c(F)c6
InChi:	InChI=1S/C24H20F3N7O4S/c1-10-30-15-3-2-12(6-18(15)39-10)34-24(28-9-29-34)23-22(37)20(21(36)17(8-35)38-23)33-7-16(31-32-33)11-4-13(25)19(27)14(26)5-11/h2-7,9,17,20-23,35-37H,8H2,1H3/t17-,20+,21+,22-,23-/m1/s1
Definition date:	2023-03-10
Last modified:	2024-03-01
Release date:	2024-03-06
Identifier:	(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

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