Chemie Search results for query - 일본 단백질구조 데이터 뱅크

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: 44216 results BIRD

A1BAB

A1BAB
Name:	(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
Formula:	C17 H18 N4 O
SMILES:	OCC(Nc1ncnc2[NH]ccc21)C1CCc2ccccc21
InChi:	InChI=1S/C17H18N4O/c22-9-15(13-6-5-11-3-1-2-4-12(11)13)21-17-14-7-8-18-16(14)19-10-20-17/h1-4,7-8,10,13,15,22H,5-6,9H2,(H2,18,19,20,21)/t13-,15+/m1/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol

A1BAE

A1BAE
Name:	(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
Formula:	C14 H15 N5 O
SMILES:	OCC(Cc1ccccn1)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C14H15N5O/c20-8-11(7-10-3-1-2-5-15-10)19-14-12-4-6-16-13(12)17-9-18-14/h1-6,9,11,20H,7-8H2,(H2,16,17,18,19)/t11-/m0/s1
Definition date:	2024-09-24
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

A1BAQ

A1BAQ
Name:	[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C13 H18 N4 O
SMILES:	OCC1CC(C)CCN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C13H18N4O/c1-9-3-5-17(10(6-9)7-18)13-11-2-4-14-12(11)15-8-16-13/h2,4,8-10,18H,3,5-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1BAR

A1BAR
Name:	[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C13 H18 N4 O
SMILES:	OCC1CCC(C)CN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C13H18N4O/c1-9-2-3-10(7-18)17(6-9)13-11-4-5-14-12(11)15-8-16-13/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1BAU

A1BAU
Name:	(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
Formula:	C14 H20 N4 O2
SMILES:	OC1CCC(O)(CC1)CNc1ncnc2[NH]cc(C)c21
InChi:	InChI=1S/C14H20N4O2/c1-9-6-15-12-11(9)13(18-8-17-12)16-7-14(20)4-2-10(19)3-5-14/h6,8,10,19-20H,2-5,7H2,1H3,(H2,15,16,17,18)/t10-,14-
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol

A1BAV

A1BAV
Name:	4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
Formula:	C13 H18 N4 O2
SMILES:	OC1(CNc2ncnc3[NH]cc(C)c32)CCOCC1
InChi:	InChI=1S/C13H18N4O2/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)2-4-19-5-3-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17)
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol

A1BAY

A1BAY
Name:	2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
Formula:	C15 H22 N4 O
SMILES:	CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m1/s1
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol

A1BAZ

A1BAZ
Name:	2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
Formula:	C15 H22 N4 O
SMILES:	CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m0/s1
Definition date:	2024-09-25
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol

A1BBQ

A1BBQ
Name:	4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
Formula:	C13 H18 N4 O2
SMILES:	OC1(CN(C)c2ncnc3[NH]ccc32)CCOCC1
InChi:	InChI=1S/C13H18N4O2/c1-17(8-13(18)3-6-19-7-4-13)12-10-2-5-14-11(10)15-9-16-12/h2,5,9,18H,3-4,6-8H2,1H3,(H,14,15,16)
Definition date:	2024-10-01
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol

A1BBR

A1BBR
Name:	[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Formula:	C14 H20 N4 O
SMILES:	OCC1CC(C)(C)CCN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H20N4O/c1-14(2)4-6-18(10(7-14)8-19)13-11-3-5-15-12(11)16-9-17-13/h3,5,9-10,19H,4,6-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1
Definition date:	2024-10-01
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol

A1BBU

A1BBU
Name:	4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C14 H20 N4
SMILES:	CC(C)(C)C1CCCN1c1ncnc2[NH]ccc12
InChi:	InChI=1S/C14H20N4/c1-14(2,3)11-5-4-8-18(11)13-10-6-7-15-12(10)16-9-17-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,16,17)/t11-/m1/s1
Definition date:	2024-10-01
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

A1BBY

A1BBY
Name:	(2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
Formula:	C10 H14 N4 O
SMILES:	CC(O)C(C)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1
Definition date:	2024-10-01
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

A1BBZ

A1BBZ
Name:	(2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
Formula:	C10 H14 N4 O
SMILES:	CC(O)C(C)Nc1ncnc2[NH]ccc21
InChi:	InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7-/m1/s1
Definition date:	2024-10-01
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

A1BCE

A1BCE
Name:	(1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
Formula:	C13 H18 N4 O2
SMILES:	OC1CCC(O)(CC1)CNc1ncnc2[NH]ccc21
InChi:	InChI=1S/C13H18N4O2/c18-9-1-4-13(19,5-2-9)7-15-12-10-3-6-14-11(10)16-8-17-12/h3,6,8-9,18-19H,1-2,4-5,7H2,(H2,14,15,16,17)/t9-,13-
Definition date:	2024-10-03
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	(1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol

A1BLY

A1BLY
Name:	nonadecafluorodecanoic acid
Formula:	C10 H F19 O2
SMILES:	FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
Definition date:	2024-12-17
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	nonadecafluorodecanoic acid

A1BM9

A1BM9
Name:	hentriacontafluorohexadecanoic acid
Formula:	C16 H F31 O2
SMILES:	FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)
Definition date:	2025-01-02
Last modified:	2025-06-06
Release date:	2025-06-11
Identifier:	hentriacontafluorohexadecanoic acid

JDP

JDP
Name:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
Formula:	C24 H23 N5 O2
SMILES:	c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4c3COCC4)c5
InChi:	InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
Synonyms:	CB-5083
Definition date:	2018-09-04
Last modified:	2025-06-04
Release date:	2019-01-23
Identifier:	1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide

A1CAB

A1CAB
Name:	(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Formula:	C5 H7 N O2
SMILES:	O=C(O)C1CCC=N1
InChi:	InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1
Definition date:	2025-04-21
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid

A1EKD

A1EKD
Name:	2-[bis[1-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]methyl]benzoic acid
Formula:	C30 H18 F4 N6 O4 S2
SMILES:	Cc1nn(c(O)c1C(c2ccccc2C(O)=O)c3c(C)nn(c3O)c4sc5cc(F)cc(F)c5n4)c6sc7cc(F)cc(F)c7n6
InChi:	InChI=1S/C30H18F4N6O4S2/c1-11-21(26(41)39(37-11)29-35-24-17(33)7-13(31)9-19(24)45-29)23(15-5-3-4-6-16(15)28(43)44)22-12(2)38-40(27(22)42)30-36-25-18(34)8-14(32)10-20(25)46-30/h3-10,23,41-42H,1-2H3,(H,43,44)
Definition date:	2025-01-19
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	2-[bis[1-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]methyl]benzoic acid

A1ICF

A1ICF
Name:	2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid
Formula:	C15 H12 Cl N O3
SMILES:	OC(=O)c1ccccc1C=NOCc2ccccc2Cl
InChi:	InChI=1S/C15H12ClNO3/c16-14-8-4-2-6-12(14)10-20-17-9-11-5-1-3-7-13(11)15(18)19/h1-9H,10H2,(H,18,19)/b17-9+
Synonyms:	(E)-2-((((2-chlorobenzyl)oxy)imino)methyl)benzoic acid
Definition date:	2024-05-23
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	2-[(2-chlorophenyl)methoxyiminomethyl]benzoic acid

A1IVC

A1IVC
Name:	N4-(3-chloranyl-2-piperidin-1-yl-phenyl)-N1,N1-dimethyl-benzene-1,4-disulfonamide
Formula:	C19 H24 Cl N3 O4 S2
SMILES:	CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc(Cl)c2N3CCCCC3
InChi:	InChI=1S/C19H24ClN3O4S2/c1-22(2)29(26,27)16-11-9-15(10-12-16)28(24,25)21-18-8-6-7-17(20)19(18)23-13-4-3-5-14-23/h6-12,21H,3-5,13-14H2,1-2H3
Definition date:	2024-11-28
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	~{N}4-(3-chloranyl-2-piperidin-1-yl-phenyl)-~{N}1,~{N}1-dimethyl-benzene-1,4-disulfonamide

A1IVD

A1IVD
Name:	N,N-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2H-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide
Formula:	C22 H26 F3 N3 O4 S2
SMILES:	CN(C)[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)N2CC3(CCN(CC3)CC(F)(F)F)c4ccccc24
InChi:	InChI=1S/C22H26F3N3O4S2/c1-26(2)33(29,30)17-7-9-18(10-8-17)34(31,32)28-15-21(19-5-3-4-6-20(19)28)11-13-27(14-12-21)16-22(23,24)25/h3-10H,11-16H2,1-2H3
Definition date:	2024-11-28
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	~{N},~{N}-dimethyl-4-[1'-[2,2,2-tris(fluoranyl)ethyl]spiro[2~{H}-indole-3,4'-piperidine]-1-yl]sulfonyl-benzenesulfonamide

A1IVZ

A1IVZ
Name:	2-[2-oxidanylidene-2-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione
Formula:	C22 H22 N2 O3
SMILES:	C[CH]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c4ccccc14
InChi:	InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
Definition date:	2024-12-05
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	2-[2-oxidanylidene-2-[(4~{R})-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]ethyl]isoindole-1,3-dione

A1L7A

A1L7A
Name:	(2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid
Formula:	C12 H8 F N O5
SMILES:	OC(=O)[C]1(O)Oc2cc(F)ccc2N(CC#C)C1=O
InChi:	InChI=1S/C12H8FNO5/c1-2-5-14-8-4-3-7(13)6-9(8)19-12(18,10(14)15)11(16)17/h1,3-4,6,18H,5H2,(H,16,17)/t12-/m1/s1
Definition date:	2025-01-07
Last modified:	2025-05-30
Release date:	2025-06-04
Identifier:	(2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid

C3Y

C3Y
Name:	S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE
Formula:	C5 H12 N2 O4 S
SMILES:	O=C(O)C(N)CSC(O)(NO)C
InChi:	InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1
Definition date:	2007-04-02
Last modified:	2025-05-30
Identifier:	S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine

<21 22 23 24 25 26 272829 30 31 32 33 34 35 36 >

243531

건을2025-10-22부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon