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PDB Info pages Status search Chemie search: 43846 results BIRD

YDD

YDD
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C29 H51 N5 O14 P2
SMILES:	CCCCCCCCCCCCCCO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C29H51N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-43-29-25(38)23(36)20(47-29)16-45-50(41,42)48-49(39,40)44-15-19-22(35)24(37)28(46-19)34-18-33-21-26(30)31-17-32-27(21)34/h17-20,22-25,28-29,35-38H,2-16H2,1H3,(H,39,40)(H,41,42)(H2,30,31,32)/t19-,20-,22-,23-,24-,25-,28-,29+/m1/s1
Definition date:	2019-11-08
Last modified:	2025-06-18
Release date:	2021-03-31
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate

GGL

GGL
Name:	GAMMA-L-GLUTAMIC ACID
Formula:	C5 H9 N O4
SMILES:	O=C(O)C(N)CCC(=O)O
InChi:	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
Synonyms:	L-GLUTAMIC ACID
Definition date:	1999-07-08
Last modified:	2025-06-18
Identifier:	L-glutamic acid

A1A3A

A1A3A
Name:	1,1'-[(2E)-but-2-ene-1,4-diyl]bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazole-5-carboxamide}
Formula:	C36 H40 N12 O6
SMILES:	Cc1cc(C(=O)Nc2nc3cc(cc(OC)c3n2CC=CCn2c3c(OC)cc(cc3nc2NC(=O)c2cc(C)nn2CC)C(N)=O)C(N)=O)n(CC)n1
InChi:	InChI=1S/C36H40N12O6/c1-7-47-25(13-19(3)43-47)33(51)41-35-39-23-15-21(31(37)49)17-27(53-5)29(23)45(35)11-9-10-12-46-30-24(16-22(32(38)50)18-28(30)54-6)40-36(46)42-34(52)26-14-20(4)44-48(26)8-2/h9-10,13-18H,7-8,11-12H2,1-6H3,(H2,37,49)(H2,38,50)(H,39,41,51)(H,40,42,52)/b10-9+
Definition date:	2024-08-23
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	1,1'-[(2E)-but-2-ene-1,4-diyl]bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazole-5-carboxamide}

A1A4R

A1A4R
Name:	(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Formula:	C28 H26 Cl N O5
SMILES:	CC(C)(C)c1ccc(cc1Cl)N1C(=O)c2ccccc2C(C(=O)O)C1c1ccc2OCCOc2c1
InChi:	InChI=1S/C28H26ClNO5/c1-28(2,3)20-10-9-17(15-21(20)29)30-25(16-8-11-22-23(14-16)35-13-12-34-22)24(27(32)33)18-6-4-5-7-19(18)26(30)31/h4-11,14-15,24-25H,12-13H2,1-3H3,(H,32,33)/t24-,25+/m0/s1
Definition date:	2024-09-05
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

A1A4X

A1A4X
Name:	benzyl (3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}propyl)carbamate
Formula:	C27 H31 N7 O5
SMILES:	Cc1cc(C(=O)Nc2nc3cc(cc(OC)c3n2CCCNC(=O)OCc2ccccc2)C(N)=O)n(CC)n1
InChi:	InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
Definition date:	2024-09-05
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	benzyl (3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}propyl)carbamate

A1A7Q

A1A7Q
Name:	N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{(3M)-3-[2-chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}urea
Formula:	C31 H33 Cl N8 O2
SMILES:	CC(C)(C)c1cc(NC(=O)Nc2cccc(c2)c2c[NH]c3nc(Cl)nc(N4CCOCC4)c23)n(n1)c1ccc(C)cc1
InChi:	InChI=1S/C31H33ClN8O2/c1-19-8-10-22(11-9-19)40-25(17-24(38-40)31(2,3)4)35-30(41)34-21-7-5-6-20(16-21)23-18-33-27-26(23)28(37-29(32)36-27)39-12-14-42-15-13-39/h5-11,16-18H,12-15H2,1-4H3,(H,33,36,37)(H2,34,35,41)
Definition date:	2024-09-17
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{(3M)-3-[2-chloro-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl}urea

A1BUL

A1BUL
Name:	N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Formula:	C39 H34 Cl F8 N7 O5 S2
SMILES:	CS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O)=O)nc1C(Cc1ccccc1)NC(=O)Cn1nc(c2c1C(F)(F)C1CC12)C(F)(F)F
InChi:	InChI=1S/C39H34ClF8N7O5S2/c1-36(2,61(3,57)58)15-14-21-10-11-22(23-12-13-26(40)30-32(23)55(19-37(41,42)43)52-35(30)53-62(4,59)60)31(49-21)27(16-20-8-6-5-7-9-20)50-28(56)18-54-34-29(33(51-54)39(46,47)48)24-17-25(24)38(34,44)45/h5-13,24-25,27H,16-19H2,1-4H3,(H,50,56)(H,52,53)/t24-,25+,27-/m0/s1
Definition date:	2025-01-27
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide

A1BYB

A1BYB
Name:	4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H11 Cl N2 O3
SMILES:	Clc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1
InChi:	InChI=1S/C15H11ClN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
Definition date:	2025-02-26
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

A1BYC

A1BYC
Name:	4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H11 Br N2 O3
SMILES:	Brc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1
InChi:	InChI=1S/C15H11BrN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
Definition date:	2025-02-26
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

A1CDW

A1CDW
Name:	pentostatin 5'-phosphate
Formula:	C11 H17 N4 O7 P
SMILES:	O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=CNCC2O
InChi:	InChI=1S/C11H17N4O7P/c16-6-1-9(22-8(6)3-21-23(18,19)20)15-5-14-10-7(17)2-12-4-13-11(10)15/h4-9,16-17H,1-3H2,(H,12,13)(H2,18,19,20)/t6-,7+,8+,9+/m0/s1
Synonyms:	(8S)-3-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Definition date:	2025-05-21
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

A1EBZ

A1EBZ
Name:	(1Z,3E,5E,7S,8R,9S,10S,11R,13R,15S,16Z,18E,24S)-11-ethyl-2,7-dihydroxy-10-methyl-21,25-diazatetracyclo[22.2.1.08,15.09,13]heptacosa-1,3,5,16,18-pentaene-20,26,27-trione
Formula:	C29 H38 N2 O5
SMILES:	CC[CH]1C[CH]2C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O
InChi:	InChI=1S/C29H38N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,9,11-13,17-22,25-26,32-33H,3,8,10,14-16H2,1-2H3,(H,30,34)(H,31,36)/b9-4-,11-5+,12-6+,13-7+,27-23-/t17-,18+,19+,20+,21-,22-,25+,26-/m0/s1
Definition date:	2024-09-14
Last modified:	2025-06-13
Release date:	2025-06-18

A1EDR

A1EDR
Name:	(1Z,3E,5E,7R,8S,10R,11R,12S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.07,15.08,12]octacosa-1,3,5,13,16,18-hexaene-20,27,28-trione
Formula:	C29 H36 N2 O4
SMILES:	CC[CH]1[CH](C)C[CH]2[CH]1C=C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH]23)C4=O
InChi:	InChI=1S/C29H36N2O4/c1-3-20-18(2)17-23-21-10-5-6-12-25(32)27-28(34)24(31-29(27)35)11-8-16-30-26(33)13-7-4-9-19(21)14-15-22(20)23/h4-7,9-10,12-15,18-24,32H,3,8,11,16-17H2,1-2H3,(H,30,33)(H,31,35)/b9-4+,10-5+,12-6+,13-7+,27-25-/t18-,19+,20-,21+,22+,23-,24+/m1/s1
Definition date:	2024-10-15
Last modified:	2025-06-13
Release date:	2025-06-18

A1ELC

A1ELC
Name:	1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone
Formula:	C23 H21 Br Cl N3 O2
SMILES:	COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5ccc(Br)cc5c(N2)c34)C(C)=O
InChi:	InChI=1S/C23H21BrClN3O2/c1-12(29)28-8-7-18-22-20(28)11-19(13-3-6-21(30-2)16(25)9-13)27-23(22)15-10-14(24)4-5-17(15)26-18/h3-6,9-10,19-20,27H,7-8,11H2,1-2H3/t19-,20+/m1/s1
Definition date:	2025-02-06
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone

A1ELJ

A1ELJ
Name:	(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile
Formula:	C24 H21 Cl N4 O2
SMILES:	COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5ccc(cc5c(N2)c34)C#N)C(C)=O
InChi:	InChI=1S/C24H21ClN4O2/c1-13(30)29-8-7-19-23-21(29)11-20(15-4-6-22(31-2)17(25)10-15)28-24(23)16-9-14(12-26)3-5-18(16)27-19/h3-6,9-10,20-21,28H,7-8,11H2,1-2H3
Definition date:	2025-02-07
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile

A1L3J

A1L3J
Name:	(2~{R},3~{R})-3-methyl-2-oxidanyl-pentanoic acid
Formula:	C6 H12 O3
SMILES:	CC[CH](C)[CH](O)C(O)=O
InChi:	InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
Definition date:	2024-08-06
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(2~{R},3~{R})-3-methyl-2-oxidanyl-pentanoic acid

A1I5P

A1I5P
Name:	methyl 2-azanyl-1~{H}-indole-3-carboxylate
Formula:	C10 H10 N2 O2
SMILES:	COC(=O)c1c(N)[nH]c2ccccc12
InChi:	InChI=1S/C10H10N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h2-5,12H,11H2,1H3
Definition date:	2025-03-10
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	methyl 2-azanyl-1~{H}-indole-3-carboxylate

A1IDY

A1IDY
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(methylamino)propyl]amino]-2-azanyl-butanoic acid
Formula:	C18 H30 N8 O5
SMILES:	CNCCCN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C18H30N8O5/c1-21-4-2-5-25(6-3-10(19)18(29)30)7-11-13(27)14(28)17(31-11)26-9-24-12-15(20)22-8-23-16(12)26/h8-11,13-14,17,21,27-28H,2-7,19H2,1H3,(H,29,30)(H2,20,22,23)/t10-,11+,13+,14+,17+/m0/s1
Definition date:	2024-06-07
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(methylamino)propyl]amino]-2-azanyl-butanoic acid

A1IFR

A1IFR
Name:	5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula:	C13 H16 N2
SMILES:	C[CH](c1[nH]cnc1)c2cccc(C)c2C
InChi:	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
Synonyms:	(R)-4-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole
Definition date:	2024-06-25
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

A1IR0

A1IR0
Name:	2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C15 H11 N5 O
SMILES:	Nc1nc(nc2n(ccc12)c3ccncc3)c4occc4
InChi:	InChI=1S/C15H11N5O/c16-13-11-5-8-20(10-3-6-17-7-4-10)15(11)19-14(18-13)12-2-1-9-21-12/h1-9H,(H2,16,18,19)
Definition date:	2024-10-16
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine

A1IR1

A1IR1
Name:	4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-2-amine
Formula:	C15 H11 N7 O
SMILES:	Nc1nc(nc(n1)c2cccc(n2)n3ccnc3)c4occc4
InChi:	InChI=1S/C15H11N7O/c16-15-20-13(19-14(21-15)11-4-2-8-23-11)10-3-1-5-12(18-10)22-7-6-17-9-22/h1-9H,(H2,16,19,20,21)
Definition date:	2024-10-16
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-2-amine

A1IRL

A1IRL
Name:	[(2~{R})-1-[[(2~{R})-1-[(3,4-dichlorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C17 H25 Cl2 N2 O5 P
SMILES:	CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)[P](O)(O)=O
InChi:	InChI=1S/C17H25Cl2N2O5P/c1-9(2)7-14(27(24,25)26)16(22)21-15(10(3)4)17(23)20-11-5-6-12(18)13(19)8-11/h5-6,8-10,14-15H,7H2,1-4H3,(H,20,23)(H,21,22)(H2,24,25,26)/t14-,15-/m1/s1
Definition date:	2024-10-09
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	[(2~{R})-1-[[(2~{R})-1-[(3,4-dichlorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1IXH

A1IXH
Name:	(2~{R})-2-[[3-[(~{E})-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-oxidanyl-propanoic acid
Formula:	C29 H28 F3 N O5
SMILES:	Cc1c(cccc1c2ccc3OCCOc3c2)C=Cc4cc(CN[C](C)(CO)C(O)=O)ccc4C(F)(F)F
InChi:	InChI=1S/C29H28F3NO5/c1-18-20(4-3-5-23(18)21-9-11-25-26(15-21)38-13-12-37-25)7-8-22-14-19(6-10-24(22)29(30,31)32)16-33-28(2,17-34)27(35)36/h3-11,14-15,33-34H,12-13,16-17H2,1-2H3,(H,35,36)/b8-7+/t28-/m1/s1
Definition date:	2024-12-19
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(2~{R})-2-[[3-[(~{E})-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-2-methyl-3-oxidanyl-propanoic acid

A1IZP

A1IZP
Name:	(3~{R})-1-[[7-(iminomethyl)-2-[2-methyl-3-[2-methyl-3-[[3-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
Formula:	C41 H41 N7 O4
SMILES:	Cc1c(Nc2nccc3cc(CN4CC[CH](O)C4)cnc23)cccc1c5cccc(c5C)c6oc7c(C=N)cc(CN8CC[CH](C8)C(O)=O)cc7n6
InChi:	InChI=1S/C41H41N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-19,29,31,42,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/b42-18+/t29-,31-/m1/s1
Definition date:	2025-01-23
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(3~{R})-1-[[7-(iminomethyl)-2-[2-methyl-3-[2-methyl-3-[[3-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid

A1JDJ

A1JDJ
Name:	2-(1-methylimidazol-2-yl)ethyl (2~{S})-3-[(5-chloranylthiophen-2-yl)carbonylamino]-2-[[2-ethyl-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl]phenyl]sulfonylamino]propanoate
Formula:	C26 H30 Cl N5 O7 S2
SMILES:	CCc1c(cccc1[S](=O)(=O)N[CH](CNC(=O)c2sc(Cl)cc2)C(=O)OCCc3nccn3C)N4CC[CH](O)C4=O
InChi:	InChI=1S/C26H30ClN5O7S2/c1-3-16-18(32-12-9-19(33)25(32)35)5-4-6-21(16)41(37,38)30-17(15-29-24(34)20-7-8-22(27)40-20)26(36)39-14-10-23-28-11-13-31(23)2/h4-8,11,13,17,19,30,33H,3,9-10,12,14-15H2,1-2H3,(H,29,34)/t17-,19-/m0/s1
Definition date:	2025-05-16
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	2-(1-methylimidazol-2-yl)ethyl (2~{S})-3-[(5-chloranylthiophen-2-yl)carbonylamino]-2-[[2-ethyl-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl]phenyl]sulfonylamino]propanoate

89R

89R
Name:	fluorinated heme
Formula:	C34 H33 F3 Fe N4 O4
SMILES:	FC(F)(F)C1=C(CC)C=2C=C3C(C)=C(CCC(=O)O)C4=CC=5C(CCC(=O)O)=C(C)C6=Cc7c(C)c(CC)c8C=C1N=2[Fe](n78)(N6=5)N34
InChi:	InChI=1S/C34H35F3N4O4.Fe/c1-6-19-16(3)23-12-24-17(4)21(8-10-31(42)43)28(39-24)14-29-22(9-11-32(44)45)18(5)25(40-29)13-27-20(7-2)33(34(35,36)37)30(41-27)15-26(19)38-23
Definition date:	2017-05-23
Last modified:	2025-06-11
Release date:	2017-08-16
Identifier:	(SP-4-2)-[(21R,23S)-2,18-bis(2-carboxyethyl)-7,12-diethyl-3,13,17-trimethyl-8-(trifluoromethyl)porphine-21,23-diido-kappa~4~N~21~,N~22~,N~23~,N~24~]iron

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237992

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