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PDB Info pages Status search Chemie search: 40235 results BIRD

T7W

T7W
Name:	(R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid
Formula:	C20 H22 N6 O4
SMILES:	CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4
InChi:	InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1
Synonyms:	3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid
Definition date:	2020-12-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid

T82

T82
Name:	(S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium
Formula:	C16 H15 Br Cl N3 O2
SMILES:	NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2
InChi:	InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1
Synonyms:	(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide
Definition date:	2020-12-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide

T9B

T9B
Name:	(2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide
Formula:	C13 H17 N O3
SMILES:	COc1ccc(CNC(=O)[CH]2CCCO2)cc1
InChi:	InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1
Synonyms:	(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide

T9K

T9K
Name:	methyl 2-(4-cyanophenoxy)ethanoate
Formula:	C10 H9 N O3
SMILES:	COC(=O)COc1ccc(cc1)C#N
InChi:	InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3
Synonyms:	methyl 2-(4-cyanophenoxy)acetate
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	methyl 2-(4-cyanophenoxy)ethanoate

T9W

T9W
Name:	2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate
Formula:	C12 H10 N O5
SMILES:	[O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O
InChi:	InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1
Synonyms:	2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate

T9Z

T9Z
Name:	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol
Formula:	C15 H18 N O2
SMILES:	Oc1c(C[NH+]2CCOCC2)ccc3ccccc13
InChi:	InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1
Definition date:	2020-12-20
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol

TE8

TE8
Name:	(2~{R})-2-(4-phenylphenoxy)propanoic acid
Formula:	C15 H14 O3
SMILES:	C[CH](Oc1ccc(cc1)c2ccccc2)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-/m1/s1
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(2~{R})-2-(4-phenylphenoxy)propanoic acid

TEH

TEH
Name:	4-(2-phenoxyethanoyl)piperazin-2-one
Formula:	C12 H14 N2 O3
SMILES:	O=C1CN(CCN1)C(=O)COc2ccccc2
InChi:	InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-(2-phenoxyethanoyl)piperazin-2-one

TEK

TEK
Name:	~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
Formula:	C11 H13 N3 O
SMILES:	CCn1c(NC(C)=O)nc2ccccc12
InChi:	InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15)
Definition date:	2020-12-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-(1-ethylbenzimidazol-2-yl)ethanamide

GX3

GX3
Name:	6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one
Formula:	C26 H30 Cl2 N6 O4
SMILES:	CNc1ncc2C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl
InChi:	InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)
Synonyms:	PRN1371
Definition date:	2020-09-30
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one

H9C

H9C
Name:	Bis(1,10-phenanthroline)platinum(II)
Formula:	C24 H16 N4 Pt
SMILES:	[Pt].c1cnc2c(c1)ccc3cccnc23.c4cnc5c(c4)ccc6cccnc56
InChi:	InChI=1S/2C12H8N2.Pt/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1
Definition date:	2020-12-01
Last modified:	2022-01-07
Release date:	2022-01-12

HJ0

HJ0
Name:	4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Formula:	C15 H17 N7 O
SMILES:	Cc1[nH]nc(NC(=O)c2cn(c3ncnc(N)c23)C4(C)CC4)c1
InChi:	InChI=1S/C15H17N7O/c1-8-5-10(21-20-8)19-14(23)9-6-22(15(2)3-4-15)13-11(9)12(16)17-7-18-13/h5-7H,3-4H2,1-2H3,(H2,16,17,18)(H2,19,20,21,23)
Definition date:	2021-01-13
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	4-azanyl-7-(1-methylcyclopropyl)-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

HJR

HJR
Name:	N-[(1R,2R,3R,4S,5R)-4-[(2R,6S)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,4S,5R}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
Formula:	C20 H37 F3 N4 O8 S
SMILES:	CN[CH]1C[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3CCC[CH](CN)O3)[CH](N)C[CH]2N[S](=O)(=O)C(F)(F)F
InChi:	InChI=1S/C20H37F3N4O8S/c1-19(29)9-32-15(7-13(19)26-2)35-18-12(27-36(30,31)20(21,22)23)6-11(25)17(16(18)28)34-14-5-3-4-10(8-24)33-14/h10-18,26-29H,3-9,24-25H2,1-2H3/t10-,11+,12+,13-,14+,15+,16+,17-,18+,19-/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[(2~{R},6~{S})-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2~{R},4~{S},5~{R})-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide

2LZ

2LZ
Name:	(5-fluoro-1H-indol-3-yl)acetic acid
Formula:	C10 H8 F N O2
SMILES:	O=C(O)Cc1c[NH]c2ccc(F)cc21
InChi:	InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
Definition date:	2021-06-30
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(5-fluoro-1H-indol-3-yl)acetic acid

HKO

HKO
Name:	N-[(1R,2R,3R,4S,5R)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3S,4S,5S,6R)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
Formula:	C24 H40 N6 O9 S
SMILES:	CN[CH]1[CH](O)[CH](O[CH]2C[C]12O)O[CH]3[CH](C[CH](N)[CH](O[CH]4O[CH](CN)CC[CH]4N)[CH]3O)N[S](=O)(=O)c5cccnc5
InChi:	InChI=1S/C24H40N6O9S/c1-28-21-18(32)23(37-16-8-24(16,21)33)39-20-15(30-40(34,35)12-3-2-6-29-10-12)7-14(27)19(17(20)31)38-22-13(26)5-4-11(9-25)36-22/h2-3,6,10-11,13-23,28,30-33H,4-5,7-9,25-27H2,1H3/t11-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22+,23+,24-/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{R})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3~{S},4~{S},5~{S},6~{R})-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide

5N0

5N0
Name:	3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid
Formula:	C64 H75 N23 O12
SMILES:	O=C(O)c1cccc(c1)C(=O)NCCCN(C)CCCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1nc(NC(=O)C(N)CCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C
InChi:	InChI=1S/C64H75N23O12/c1-79(20-11-16-67-54(88)36-13-10-14-37(23-36)64(98)99)21-12-17-68-56(90)44-24-38(29-81(44)3)70-58(92)46-26-40(31-83(46)5)72-60(94)48-28-41(32-85(48)7)73-62(96)52-75-49(34-86(52)8)77-55(89)43(65)15-18-69-57(91)45-25-39(30-82(45)4)71-59(93)47-27-42(33-84(47)6)74-63(97)53-76-50(35-87(53)9)78-61(95)51-66-19-22-80(51)2/h10,13-14,19,22-35,43H,11-12,15-18,20-21,65H2,1-9H3,(H,67,88)(H,68,90)(H,69,91)(H,70,92)(H,71,93)(H,72,94)(H,73,96)(H,74,97)(H,77,89)(H,78,95)(H,98,99)/t43-/m1/s1
Definition date:	2021-07-21
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid

6IU

6IU
Name:	N-(2-acetamidoethyl)-2-nitro-ethanamide
Formula:	C6 H11 N3 O4
SMILES:	CC(=O)NCCNC(=O)C[N+]([O-])=O
InChi:	InChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11)
Definition date:	2021-09-17
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	~{N}-(2-acetamidoethyl)-2-nitro-ethanamide

7VZ

7VZ
Name:	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Formula:	C14 H18 Cl N O4 S2
SMILES:	COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O
InChi:	InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)12(8-11(10)15)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19)
Definition date:	2021-09-09
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate

2JI

2JI
Name:	(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid
Formula:	C13 H15 N O2
SMILES:	O=C(O)Cc1c2cc(ccc2[NH]c1C)CC
InChi:	InChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16)
Definition date:	2021-06-30
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(5-ethyl-2-methyl-1H-indol-3-yl)acetic acid

9S5

9S5
Name:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone
Formula:	C19 H24 N6 O2
SMILES:	CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1
InChi:	InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1
Definition date:	2021-10-26
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone

9SS

9SS
Name:	(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile
Formula:	C18 H19 N7 O
SMILES:	O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)N1CCCC(C#N)C1
InChi:	InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)/t13-/m0/s1
Definition date:	2021-10-26
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile

9TC

9TC
Name:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone
Formula:	C18 H22 N6 O2
SMILES:	O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1
InChi:	InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23)
Definition date:	2021-10-26
Last modified:	2022-01-07
Release date:	2022-01-12
Identifier:	(8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone

YCS

YCS
Name:	(2~{R})-2-(4-bromanylphenoxy)propanamide
Formula:	C9 H10 Br N O2
SMILES:	C[CH](Oc1ccc(Br)cc1)C(N)=O
InChi:	InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1
Definition date:	2021-02-22
Last modified:	2021-12-31
Release date:	2022-01-05
Identifier:	(2~{R})-2-(4-bromanylphenoxy)propanamide

C5Y

C5Y
Name:	5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine
Formula:	C18 H28 N5 O8 P
SMILES:	CCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C18H28N5O8P/c1-2-3-4-5-6-7-12(24)31-32(27,28)29-8-11-14(25)15(26)18(30-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1
Definition date:	2021-11-19
Last modified:	2021-12-31
Release date:	2022-01-05
Identifier:	5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine

2TR

2TR
Name:	6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide
Formula:	C20 H22 Cl F N4 O2
SMILES:	CN(C)C(=O)c1c(N)ccc(c1F)c1cnc2NCC3(CCC(O)C3)c2c1Cl
InChi:	InChI=1S/C20H22ClFN4O2/c1-26(2)19(28)14-13(23)4-3-11(17(14)22)12-8-24-18-15(16(12)21)20(9-25-18)6-5-10(27)7-20/h3-4,8,10,27H,5-7,9,23H2,1-2H3,(H,24,25)/t10-,20-/m1/s1
Definition date:	2021-06-30
Last modified:	2021-12-31
Release date:	2022-01-05
Identifier:	6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide

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