Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 43846 results BIRD

5CR

5CR
Name:	N-acetyl-L-phenylalanine
Formula:	C11 H13 N O3
SMILES:	CC(=O)N[CH](Cc1ccccc1)C(O)=O
InChi:	InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
Definition date:	2015-10-12
Last modified:	2025-05-15
Release date:	2016-11-16
Identifier:	(2S)-2-acetamido-3-phenyl-propanoic acid

3LU

3LU
Name:	1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium
Formula:	C21 H22 N3 O8 S2
SMILES:	O=S(=O)(O)C(c1ccccc1)C(=O)NC(C(=O)O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3
InChi:	InChI=1S/C21H21N3O8S2/c25-18(17(34(30,31)32)13-7-3-1-4-8-13)22-16(21(28)29)19-23-15(20(26)27)14(12-33-19)11-24-9-5-2-6-10-24/h1-10,16-17,19,23H,11-12H2,(H3-,22,25,26,27,28,29,30,31,32)/p+1/t16-,17+,19+/m0/s1
Synonyms:	Cefsulodin, bound form
Definition date:	2014-09-19
Last modified:	2025-05-15
Release date:	2015-07-01
Identifier:	1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium

A1BIM

A1BIM
Name:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C17 H19 N5 O8 S2
SMILES:	OC(=O)C1=NC(SCC1=C)C(NC(=O)C(=NOC(C)(C)C(=O)O)/c1csc(N)n1)C(=O)O
InChi:	InChI=1S/C17H19N5O8S2/c1-6-4-31-12(21-8(6)13(24)25)10(14(26)27)20-11(23)9(7-5-32-16(18)19-7)22-30-17(2,3)15(28)29/h5,10,12H,1,4H2,2-3H3,(H2,18,19)(H,20,23)(H,24,25)(H,26,27)(H,28,29)/b22-9-/t10-,12+/m0/s1
Synonyms:	hydrolyzed ceftazidime without pyridine ring
Definition date:	2024-11-29
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

A1AQY

A1AQY
Name:	N-{(1R,2P)-6-chloro-5-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorocyclohexa-2,3,5-trien-1-yl}-3-fluoroazetidine-1-sulfonamide
Formula:	C18 H15 Cl2 F2 N5 O3 S
SMILES:	O=S(=O)(Nc1ccc(F)c(Nc2ccc3N=CN(C)C(=O)c3c2Cl)c1Cl)N1CC(F)C1
InChi:	InChI=1S/C18H15Cl2F2N5O3S/c1-26-8-23-11-4-5-12(15(19)14(11)18(26)28)24-17-10(22)2-3-13(16(17)20)25-31(29,30)27-6-9(21)7-27/h2-5,8-9,24-25H,6-7H2,1H3
Definition date:	2024-05-08
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-{2-chloro-3-[(5-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoroazetidine-1-sulfonamide

A1AR6

A1AR6
Name:	(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide
Formula:	C25 H40 F3 N5 O4
SMILES:	O=C1NCCC1CC(CN)NC(=O)C1CC2(CCCCC2)CN1C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C25H40F3N5O4/c1-23(2,3)18(32-22(37)25(26,27)28)21(36)33-14-24(8-5-4-6-9-24)12-17(33)20(35)31-16(13-29)11-15-7-10-30-19(15)34/h15-18H,4-14,29H2,1-3H3,(H,30,34)(H,31,35)(H,32,37)/t15-,16-,17-,18+/m0/s1
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide (non-preferred name)

A1AR7

A1AR7
Name:	N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
Formula:	C17 H17 Cl3 N2 O
SMILES:	Clc1cc(cnc1)N(C(=O)C(Cl)Cl)c1ccc(cc1)C(C)(C)C
InChi:	InChI=1S/C17H17Cl3N2O/c1-17(2,3)11-4-6-13(7-5-11)22(16(23)15(19)20)14-8-12(18)9-21-10-14/h4-10,15H,1-3H3
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide

A1AR9

A1AR9
Name:	N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
Formula:	C19 H13 Cl2 F N2 O
SMILES:	Clc1cc(cnc1)N(C(=O)CF)c1cc(ccc1)c1cccc(Cl)c1
InChi:	InChI=1S/C19H13Cl2FN2O/c20-15-5-1-3-13(7-15)14-4-2-6-17(8-14)24(19(25)10-22)18-9-16(21)11-23-12-18/h1-9,11-12H,10H2
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide

A1ARR

A1ARR
Name:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide
Formula:	C39 H53 N5 O8
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)c1nc2ccccc2o1
InChi:	InChI=1S/C39H53N5O8/c1-24(52-39(2,3)4)32(44-38(49)50-23-26-15-9-6-10-16-26)36(48)42-30(21-25-13-7-5-8-14-25)35(47)41-29(22-27-19-20-40-34(27)46)33(45)37-43-28-17-11-12-18-31(28)51-37/h6,9-12,15-18,24-25,27,29-30,32-33,45H,5,7-8,13-14,19-23H2,1-4H3,(H,40,46)(H,41,47)(H,42,48)(H,44,49)/t24-,27+,29-,30+,32?,33+/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(1S,2R)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-cyclohexyl-L-alaninamide

A1ARU

A1ARU
Name:	O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Formula:	C26 H42 F3 N5 O5
SMILES:	FC(F)(F)C(=O)NC(C(C)OC(C)(C)C)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C26H42F3N5O5/c1-15(39-25(2,3)4)20(34-24(38)26(27,28)29)23(37)33-19(12-16-8-6-5-7-9-16)22(36)32-18(14-30)13-17-10-11-31-21(17)35/h14-20,30H,5-13H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)/b30-14+/t15-,17+,18-,19+,20+/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	O-tert-butyl-N-(trifluoroacetyl)-L-threonyl-3-cyclohexyl-N-{(2R)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

A1ARV

A1ARV
Name:	(1H-indol-4-yl)methanol
Formula:	C9 H9 N O S
SMILES:	OC(S)c1cccc2[NH]ccc12
InChi:	InChI=1S/C9H9NOS/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,9-12H/t9-/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(R)-(1H-indol-4-yl)(sulfanyl)methanol

A1ARY

A1ARY
Name:	(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide
Formula:	C19 H14 Cl2 N2 O2 S
SMILES:	Clc1cc(cnc1)N(C(=O)C(O)S)c1cc(ccc1)c1cccc(Cl)c1
InChi:	InChI=1S/C19H14Cl2N2O2S/c20-14-5-1-3-12(7-14)13-4-2-6-16(8-13)23(18(24)19(25)26)17-9-15(21)10-22-11-17/h1-11,19,25-26H/t19-/m1/s1
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide

A1ASA

A1ASA
Name:	(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C27 H31 F4 N5 O3
SMILES:	CC1(C)C2C(C(=O)NC(C=N)c3cncc4cc(F)ccc43)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C27H31F4N5O3/c1-25(2,3)21(35-24(39)27(29,30)31)23(38)36-12-17-19(26(17,4)5)20(36)22(37)34-18(9-32)16-11-33-10-13-8-14(28)6-7-15(13)16/h6-11,17-21,32H,12H2,1-5H3,(H,34,37)(H,35,39)/b32-9+/t17-,18-,19-,20-,21+/m0/s1
Definition date:	2024-05-15
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

A1AT9

A1AT9
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[2-(2-phenyl-1,3-dioxolan-2-yl)acetamido]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate
Formula:	C32 H47 N8 O19 P3
SMILES:	O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CC1(OCCO1)c1ccccc1)n1cnc2c(N)ncnc21
InChi:	InChI=1S/C32H47N8O19P3/c1-31(2,26(44)29(45)36-9-8-21(41)34-10-11-35-22(42)14-32(53-12-13-54-32)19-6-4-3-5-7-19)16-56-62(51,52)59-61(49,50)55-15-20-25(58-60(46,47)48)24(43)30(57-20)40-18-39-23-27(33)37-17-38-28(23)40/h3-7,17-18,20,24-26,30,43-44H,8-16H2,1-2H3,(H,34,41)(H,35,42)(H,36,45)(H,49,50)(H,51,52)(H2,33,37,38)(H2,46,47,48)/t20-,24-,25-,26+,30-/m1/s1
Definition date:	2024-06-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[2-(2-phenyl-1,3-dioxolan-2-yl)acetamido]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)

A1AUA

A1AUA
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate
Formula:	C32 H47 N8 O18 P3
SMILES:	O=C(CCCC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)c1ccccc1
InChi:	InChI=1S/C32H47N8O18P3/c1-32(2,27(45)30(46)36-12-11-23(43)35-14-13-34-22(42)10-6-9-20(41)19-7-4-3-5-8-19)16-55-61(52,53)58-60(50,51)54-15-21-26(57-59(47,48)49)25(44)31(56-21)40-18-39-24-28(33)37-17-38-29(24)40/h3-5,7-8,17-18,21,25-27,31,44-45H,6,9-16H2,1-2H3,(H,34,42)(H,35,43)(H,36,46)(H,50,51)(H,52,53)(H2,33,37,38)(H2,47,48,49)/t21-,25-,26-,27+,31-/m1/s1
Definition date:	2024-06-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate (non-preferred name)

A1AUB

A1AUB
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate
Formula:	C33 H46 N9 O18 P3 S
SMILES:	O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CSCc1cc(on1)c1ccccc1)n1cnc2c(N)ncnc21
InChi:	InChI=1S/C33H46N9O18P3S/c1-33(2,28(46)31(47)37-9-8-23(43)35-10-11-36-24(44)15-64-14-20-12-21(58-41-20)19-6-4-3-5-7-19)16-56-63(53,54)60-62(51,52)55-13-22-27(59-61(48,49)50)26(45)32(57-22)42-18-40-25-29(34)38-17-39-30(25)42/h3-7,12,17-18,22,26-28,32,45-46H,8-11,13-16H2,1-2H3,(H,35,43)(H,36,44)(H,37,47)(H,51,52)(H,53,54)(H2,34,38,39)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1
Definition date:	2024-06-03
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (14R)-14-hydroxy-15,15-dimethyl-4,9,13-trioxo-1-(5-phenyl-1,2-oxazol-3-yl)-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen diphosphate (non-preferred name)

A1A4E

A1A4E
Name:	(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:	C32 H35 Cl N6 O3
SMILES:	O=C(C=CCN(C)C)N1CCCC1(C)C#Cc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC
InChi:	InChI=1S/C32H35ClN6O3/c1-32(14-7-19-39(32)26(40)10-6-18-38(2)3)15-11-21-20-34-16-12-22(21)28-29(27-24(36-28)13-17-35-31(27)41)37-25-9-5-8-23(33)30(25)42-4/h5-6,8-10,12,16,20,36-37H,7,13-14,17-19H2,1-4H3,(H,35,41)/b10-6+/t32-/m1/s1
Definition date:	2024-08-30
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

A1CAA

A1CAA
Name:	(3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile
Formula:	C17 H10 F2 N2 O3 S
SMILES:	CS(=O)(=O)c1ccc(C#N)cc1C1=CC(=O)c2c(cc(F)cc2F)N1
InChi:	InChI=1S/C17H10F2N2O3S/c1-25(23,24)16-3-2-9(8-20)4-11(16)13-7-15(22)17-12(19)5-10(18)6-14(17)21-13/h2-7H,1H3,(H,21,22)
Definition date:	2025-04-21
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile

A1D9Q

A1D9Q
Name:	(3~{S})-1',1'-bis(chloranyl)-5-methyl-spiro[1~{H}-indole-3,2'-cyclopropane]-2-one
Formula:	C11 H9 Cl2 N O
SMILES:	Cc1ccc2NC(=O)[C]3(CC3(Cl)Cl)c2c1
InChi:	InChI=1S/C11H9Cl2NO/c1-6-2-3-8-7(4-6)10(9(15)14-8)5-11(10,12)13/h2-4H,5H2,1H3,(H,14,15)/t10-/m0/s1
Definition date:	2024-07-05
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(3~{S})-1',1'-bis(chloranyl)-5-methyl-spiro[1~{H}-indole-3,2'-cyclopropane]-2-one

A1D9X

A1D9X
Name:	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine
Formula:	C13 H19 Cl N4 O4 S
SMILES:	CC(C)(C)CN([CH]1CC[S](=O)(=O)C1)c2nc(Cl)ncc2[N+]([O-])=O
InChi:	InChI=1S/C13H19ClN4O4S/c1-13(2,3)8-17(9-4-5-23(21,22)7-9)11-10(18(19)20)6-15-12(14)16-11/h6,9H,4-5,7-8H2,1-3H3/t9-/m1/s1
Definition date:	2024-07-09
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	~{N}-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-2-chloranyl-~{N}-(2,2-dimethylpropyl)-5-nitro-pyrimidin-4-amine

A1EJR

A1EJR
Name:	(2S)-2-azanyl-6-[6-[[(2R)-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1H-indazol-2-yl]hexanoic acid
Formula:	C36 H38 Br N5 O8
SMILES:	CNC(=O)C[CH](Cc1ccc(cc1)C#Cc2cc(C)cc(Br)c2OCC(O)=O)NC(=O)c3ccc4c(NN(CCCC[CH](N)C(O)=O)C4=O)c3
InChi:	InChI=1S/C36H38BrN5O8/c1-21-15-24(33(28(37)16-21)50-20-32(44)45)11-10-22-6-8-23(9-7-22)17-26(19-31(43)39-2)40-34(46)25-12-13-27-30(18-25)41-42(35(27)47)14-4-3-5-29(38)36(48)49/h6-9,12-13,15-16,18,26,29,41H,3-5,14,17,19-20,38H2,1-2H3,(H,39,43)(H,40,46)(H,44,45)(H,48,49)/t26-,29+/m1/s1
Definition date:	2025-01-17
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2~{S})-2-azanyl-6-[6-[[(2~{R})-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1~{H}-indazol-2-yl]hexanoic acid

A1EJW

A1EJW
Name:	3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one
Formula:	C15 H12 Cl N3 O2
SMILES:	Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23
InChi:	InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)
Definition date:	2025-01-17
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1~{H}-1,5-naphthyridin-2-one

A1EJX

A1EJX
Name:	4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide
Formula:	C24 H19 F N6 O2
SMILES:	CN(C)C(=O)c1ccc(cc1)c2cnc3c(NC(=O)C(=C3c4ccc(F)c5[nH]ncc45)N)c2
InChi:	InChI=1S/C24H19FN6O2/c1-31(2)24(33)13-5-3-12(4-6-13)14-9-18-22(27-10-14)19(20(26)23(32)29-18)15-7-8-17(25)21-16(15)11-28-30-21/h3-11H,26H2,1-2H3,(H,28,30)(H,29,32)
Definition date:	2025-01-17
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	4-[7-azanyl-8-(7-fluoranyl-1~{H}-indazol-4-yl)-6-oxidanylidene-5~{H}-1,5-naphthyridin-3-yl]-~{N},~{N}-dimethyl-benzamide

A1L1U

A1L1U
Name:	Nocardicin G
Formula:	C19 H19 N3 O6
SMILES:	N[CH](C(=O)N[CH]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
InChi:	InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1
Synonyms:	(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid
Definition date:	2024-05-14
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid

A1L7Q

A1L7Q
Name:	1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
Formula:	C27 H22 F3 N5 O2
SMILES:	Cc1cncc(c1)N2C(=O)N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4Cc5ccccc5C4
InChi:	InChI=1S/C27H22F3N5O2/c1-16-8-20(13-32-12-16)35-26(36)21(9-17-10-22(28)24(30)23(29)11-17)25(34(7-6-31)27(35)37)33-14-18-4-2-3-5-19(18)15-33/h2-6,8,10-13,31H,7,9,14-15H2,1H3/b31-6-
Definition date:	2025-02-19
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione

A1L7R

A1L7R
Name:	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione
Formula:	C23 H18 Cl2 F3 N5 O2
SMILES:	Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N(CC=N)C(=O)N(C2=O)c5cncc(Cl)c5
InChi:	InChI=1S/C23H18Cl2F3N5O2/c24-14-6-15(8-30-7-14)33-20(34)18(13-1-2-17(26)16(25)5-13)19(32(4-3-29)21(33)35)31-11-22(12-31)9-23(27,28)10-22/h1-3,5-8,29H,4,9-12H2
Definition date:	2025-02-19
Last modified:	2025-05-09
Release date:	2025-05-14
Identifier:	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione

<2 3 4 5 6 7 8910 11 12 13 14 15 16 17 >

237992

数据于2025-06-25公开中

PDB statistics

PDBj update info

Contact PDBj

numon