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PDB Info pages Status search Chemie search: 39937 results BIRD

TUK

TUK
Name:	2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal
Formula:	C18 H22 N4 O3 S
SMILES:	CSCC[CH](N)[CH]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:	InChI=1S/C18H22N4O3S/c1-26-7-6-13(19)17-21-15(18(25)22(17)10-16(23)24)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,17,20H,6-8,10,19H2,1H3,(H,23,24)/t13-,17-/m0/s1
Definition date:	2021-01-13
Last modified:	2024-06-28
Release date:	2022-03-02
Identifier:	2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanoic acid

ZX4

ZX4
Name:	5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
Formula:	C25 H32 N10 O6 S
SMILES:	O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1
Definition date:	2023-04-17
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine

O4Q

O4Q
Name:	(~{E})-4-chloranyl-3-methyl-but-3-enal
Formula:	C5 H7 Cl O2
SMILES:	CC(CC(O)=O)=CCl
InChi:	InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+
Definition date:	2020-01-31
Last modified:	2024-06-28
Release date:	2020-03-04
Identifier:	(~{E})-4-chloranyl-3-methyl-but-3-enoic acid

S7Z

S7Z
Name:	(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
Formula:	C14 H6 F4 N2 O4
SMILES:	OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1
InChi:	InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-
Synonyms:	[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol
Definition date:	2020-11-11
Last modified:	2024-06-28
Release date:	2021-12-15
Identifier:	4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid

Q8X

Q8X
Name:	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal
Formula:	C14 H15 N3 O2 S
SMILES:	N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O
InChi:	InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1
Definition date:	2022-07-20
Last modified:	2024-06-28
Release date:	2023-08-16
Identifier:	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid

QQ8

QQ8
Name:	(4~{S})-4-azanyl-5-formamido-pentanamide
Formula:	C6 H13 N3 O3
SMILES:	N[CH](CCC(N)=O)CNC(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-06-28
Release date:	2021-06-09
Identifier:	[(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid

QQB

QQB
Name:	~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
Formula:	C14 H16 N2 O2
SMILES:	N[CH](CNC(O)=O)Cc1cccc2ccccc12
InChi:	InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-06-28
Release date:	2021-06-09
Identifier:	[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid

QCN

QCN
Name:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
Formula:	C13 H19 N O3
SMILES:	CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O
InChi:	InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1
Definition date:	2020-06-05
Last modified:	2024-06-28
Release date:	2021-06-30
Identifier:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid

ORT

ORT
Name:	(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
Formula:	C5 H11 N3 O3
SMILES:	NNC(=O)CC[CH](N)C(O)=O
InChi:	InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:	2020-04-01
Last modified:	2024-06-28
Release date:	2020-07-01
Identifier:	(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid

RNG

RNG
Name:	(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT
Formula:	C11 H16 N2 O4
SMILES:	O=C1N2N(C(=O)CCC1)C(CCC2)CC=O
InChi:	InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1
Synonyms:	FUSED RING FRAGMENT OF INHIBITOR
Definition date:	1999-07-08
Last modified:	2024-06-28
Identifier:	[(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde

85L

85L
Name:	[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold
Formula:	C3 H6 Au2 Cl2 N O2 S
SMILES:	N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O
InChi:	InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6
Definition date:	2021-10-01
Last modified:	2024-06-28
Release date:	2023-04-19
Identifier:	[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold

0TJ

0TJ
Name:	N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide
Formula:	C15 H15 Br4 N3 O3
SMILES:	O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1
InChi:	InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25)
Definition date:	2012-06-06
Last modified:	2024-06-28
Release date:	2012-10-12
Identifier:	N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide

2UC

2UC
Name:	1-[3-(2-oxoethyl)benzyl]guanidine
Formula:	C10 H13 N3 O2
SMILES:	O=CCc1cccc(c1)CNC(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13)
Definition date:	2014-02-07
Last modified:	2024-06-28
Release date:	2014-04-09
Identifier:	1-[3-(2-oxoethyl)benzyl]guanidine

A1ALE

A1ALE
Name:	(2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid
Formula:	C9 H18 N2 O3
SMILES:	NC(CCCCC(=O)N(C)C)C(=O)O
InChi:	InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1
Definition date:	2024-04-08
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid

A1APA

A1APA
Name:	cobicistat
Formula:	C40 H53 N7 O5 S2
SMILES:	CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(Cc2ccccc2)CCC(Cc2ccccc2)NC(=O)OCc2cncs2)cs1
InChi:	InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
Synonyms:	(1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate
Definition date:	2024-04-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate

A1APE

A1APE
Name:	(2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C26 H38 N5 O21 P3
SMILES:	O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(OCc3c(COP(=O)(O)O)cnc(C)c3O)C(NC(C)=O)C2NC(C)=O)C(O)C1O
InChi:	InChI=1S/C26H38N5O21P3/c1-11-21(35)15(14(6-27-11)7-48-53(39,40)41)8-46-16-9-47-25(20(29-13(3)33)19(16)28-12(2)32)51-55(44,45)52-54(42,43)49-10-17-22(36)23(37)24(50-17)31-5-4-18(34)30-26(31)38/h4-6,16-17,19-20,22-25,35-37H,7-10H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)(H,44,45)(H,30,34,38)(H2,39,40,41)/t16-,17+,19-,20+,22+,23+,24+,25+/m0/s1
Definition date:	2024-04-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

A1AUU

A1AUU
Name:	(4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one
Formula:	C19 H22 F N3 O2
SMILES:	O=C(C1CC(=O)NCC1)N1CCC(CC1)c1c[NH]c2ccc(F)cc12
InChi:	InChI=1S/C19H22FN3O2/c20-14-1-2-17-15(10-14)16(11-22-17)12-4-7-23(8-5-12)19(25)13-3-6-21-18(24)9-13/h1-2,10-13,22H,3-9H2,(H,21,24)/t13-/m1/s1
Definition date:	2024-06-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one

A1D5B

A1D5B
Name:	methyl (2~{S})-2,6-bis(azanyl)hexanoate
Formula:	C7 H16 N2 O2
SMILES:	COC(=O)[CH](N)CCCCN
InChi:	InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1
Synonyms:	Methyl lysinate
Definition date:	2024-01-02
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	methyl (2~{S})-2,6-bis(azanyl)hexanoate

A1D5D

A1D5D
Name:	(2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide
Formula:	C38 H49 N5 O2
SMILES:	C[CH](CCN)CC(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4
InChi:	InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29-,35+/m1/s1
Synonyms:	L797591
Definition date:	2024-01-03
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide

A1D5E

A1D5E
Name:	(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid
Formula:	C8 H15 N3 O4
SMILES:	NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O
InChi:	InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1
Synonyms:	4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)-
Definition date:	2024-01-04
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid

LTE

LTE
Name:	1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine
Formula:	C18 H29 N9 O5
SMILES:	N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C18H29N9O5/c19-9(17(30)31)3-1-5-22-18(21)23-6-2-4-10-12(28)13(29)16(32-10)27-8-26-11-14(20)24-7-25-15(11)27/h7-10,12-13,16,28-29H,1-6,19H2,(H,30,31)(H2,20,24,25)(H3,21,22,23)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2019-09-04
Last modified:	2024-06-28
Release date:	2020-09-30
Identifier:	(2~{S})-5-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-azanyl-pentanoic acid

CFD

CFD
Name:	(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
Formula:	C8 H15 N O2
SMILES:	O=CC(C=C(/C)C(N)C)C
InChi:	InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1
Definition date:	2008-12-17
Last modified:	2024-06-28
Identifier:	(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal

CIV

CIV
Name:	2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide
Formula:	C17 H23 N4 O4
SMILES:	NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O
InChi:	InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1
Synonyms:	CHROMOPHORE (LYS-TYR-GLY)
Definition date:	2021-11-22
Last modified:	2024-06-28
Release date:	2022-04-20
Identifier:	3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium

C12

C12
Name:	2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE
Formula:	C15 H18 N3 O5
SMILES:	[O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2
InChi:	InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2006-02-23
Last modified:	2024-06-28
Identifier:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate

9AC

9AC
Name:	9-ACRIDINECARBONYL
Formula:	C14 H9 N O2
SMILES:	O=Cc1c3c(nc2c1cccc2)cccc3
InChi:	InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)
Synonyms:	9-ACRIDINOYL
Definition date:	2000-11-10
Last modified:	2024-06-28
Identifier:	acridine-9-carbaldehyde

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223532

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