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: 44216 results BIRD

R7L

R7L
Name:	2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide
Formula:	C20 H20 N4 O6 S
SMILES:	COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(cc(OC)c21)Cn1cccn1
InChi:	InChI=1S/C20H20N4O6S/c1-27-14-6-4-7-15(28-2)19(14)31(25,26)23-20-18-16(29-3)10-13(11-17(18)30-22-20)12-24-9-5-8-21-24/h4-11H,12H2,1-3H3,(H,22,23)
Definition date:	2022-06-22
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide

W3N

W3N
Name:	1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione
Formula:	C22 H18 N6 O2
SMILES:	C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5
InChi:	InChI=1S/C22H18N6O2/c1-13(14-4-2-5-15(8-14)19-10-23-12-24-19)28-11-18(21(29)26-22(28)30)17-7-3-6-16-9-25-27-20(16)17/h2-13H,1H3,(H,23,24)(H,25,27)(H,26,29,30)/t13-/m0/s1
Definition date:	2023-04-26
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-[(1~{S})-1-[3-(1~{H}-imidazol-4-yl)phenyl]ethyl]-5-(1~{H}-indazol-7-yl)pyrimidine-2,4-dione

UTC

UTC
Name:	(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
Formula:	C33 H32 N4 O4
SMILES:	Oc1ccc(cc1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2ccccc21
InChi:	InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1
Definition date:	2022-08-25
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

W3R

W3R
Name:	5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione
Formula:	C19 H16 N4 O2
SMILES:	C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4
InChi:	InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-11-16(18(24)21-19(23)25)15-9-5-8-14-10-20-22-17(14)15/h2-12H,1H3,(H,20,22)(H,21,24,25)/t12-/m0/s1
Definition date:	2023-04-26
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	5-(1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione

W3W

W3W
Name:	5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione
Formula:	C21 H16 F2 N4 O2
SMILES:	C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3cccc(c3)c4[nH]cnc4
InChi:	InChI=1S/C21H16F2N4O2/c1-12(13-3-2-4-14(5-13)19-9-24-11-25-19)27-10-18(20(28)26-21(27)29)15-6-16(22)8-17(23)7-15/h2-12H,1H3,(H,24,25)(H,26,28,29)/t12-/m0/s1
Definition date:	2023-04-26
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-[3-(1~{H}-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione

W40

W40
Name:	5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione
Formula:	C18 H14 F2 N2 O2
SMILES:	C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3
InChi:	InChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1
Definition date:	2023-04-26
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione

W49

W49
Name:	5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione
Formula:	C21 H15 F N4 O2
SMILES:	C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc3c(n[nH]c23)C#C)c4ccccc4
InChi:	InChI=1S/C21H15FN4O2/c1-3-18-16-10-14(22)9-15(19(16)25-24-18)17-11-26(21(28)23-20(17)27)12(2)13-7-5-4-6-8-13/h1,4-12H,2H3,(H,24,25)(H,23,27,28)/t12-/m0/s1
Definition date:	2023-04-26
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	5-(3-ethynyl-5-fluoranyl-1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione

LBJ

LBJ
Name:	6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Formula:	C12 H14 N2 O
SMILES:	COc1ccc2[nH]c3CNCCc3c2c1
InChi:	InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
Definition date:	2022-06-29
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

TW6

TW6
Name:	[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C27 H28 N2 O3
SMILES:	CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1
Definition date:	2022-07-28
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

NE0

NE0
Name:	[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C9 H16 N2 O18 P4
SMILES:	O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C9H16N2O18P4/c12-5-1-2-11(9(14)10-5)8-7(27-30(15,16)17)6(13)4(26-8)3-25-32(21,22)29-33(23,24)28-31(18,19)20/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2023-01-12
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	[[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

NE4

NE4
Name:	(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid
Formula:	C20 H30 O2
SMILES:	C324C(C1(CCCC(C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4
InChi:	InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1
Synonyms:	ent-kaurenoic acid
Definition date:	2019-05-14
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid

LC9

LC9
Name:	1H-indol-3-ylmethanamine
Formula:	C9 H10 N2
SMILES:	NCc1c[nH]c2ccccc12
InChi:	InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
Definition date:	2022-06-29
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1~{H}-indol-3-ylmethanamine

9ZR

9ZR
Name:	[(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-docos-13-enoate
Formula:	C46 H89 N O8 P
SMILES:	C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCC
InChi:	InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/p+1/b19-17-,21-20-/t44-/m1/s1
Definition date:	2023-04-20
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(4R,7R,22Z)-7-{[(9Z)-hexadec-9-enoyl]oxy}-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphahentriacont-22-en-1-aminium

GH6

GH6
Name:	2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C19 H14 Cl2 N2 O3
SMILES:	OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl
InChi:	InChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25)
Definition date:	2022-05-08
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid

F96

F96
Name:	1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
Formula:	C21 H22 F N3 O2
SMILES:	O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c4cccc(F)c4
InChi:	InChI=1S/C21H22FN3O2/c22-16-4-1-3-14(9-16)15-6-7-18-20(10-15)25(13-24-18)12-17(26)11-19-21(27)5-2-8-23-19/h1,3-4,6-7,9-10,13,19,21,23,27H,2,5,8,11-12H2/t19-,21+/m1/s1
Definition date:	2020-04-20
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one

F99

F99
Name:	1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
Formula:	C16 H20 Cl N3 O2
SMILES:	Cc1c(Cl)ccc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12
InChi:	InChI=1S/C16H20ClN3O2/c1-10-12(17)4-5-14-16(10)19-9-20(14)8-11(21)7-13-15(22)3-2-6-18-13/h4-5,9,13,15,18,22H,2-3,6-8H2,1H3/t13-,15+/m1/s1
Definition date:	2020-04-20
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one

F9C

F9C
Name:	1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
Formula:	C15 H19 Br N4 O2
SMILES:	Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12
InChi:	InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1
Definition date:	2020-04-20
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one

F9O

F9O
Name:	(2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol
Formula:	C15 H19 Cl2 N3 O
SMILES:	O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23
InChi:	InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1
Definition date:	2020-04-20
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(2~{R},3~{S})-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol

IC4

IC4
Name:	13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine
Formula:	C11 H13 Cu N3 O2 S
SMILES:	COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C
InChi:	InChI=1S/C11H15N3O2S.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15
Definition date:	2022-06-25
Last modified:	2023-06-30
Release date:	2023-07-05

IKL

IKL
Name:	2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide
Formula:	C20 H22 N4 O2
SMILES:	Cc1cc(C)n(n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2
InChi:	InChI=1S/C20H22N4O2/c1-13-11-14(2)24(22-13)16-9-7-15(8-10-16)12-19(25)21-20-17-5-3-4-6-18(17)26-23-20/h7-11H,3-6,12H2,1-2H3,(H,21,23,25)
Definition date:	2022-03-29
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide

IO9

IO9
Name:	(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid
Formula:	C5 H6 O6
SMILES:	O[CH](CC(=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1
Definition date:	2022-07-07
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid

JGX

JGX
Name:	Tamsulosin
Formula:	C20 H28 N2 O5 S
SMILES:	CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O
InChi:	InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Definition date:	2022-08-10
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	5-[(2~{R})-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide

JOX

JOX
Name:	2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione
Formula:	C6 H2 Cl2 O2
SMILES:	ClC1=CC(=O)C=C(Cl)C1=O
InChi:	InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
Definition date:	2022-08-25
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione

K2I

K2I
Name:	2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione
Formula:	C6 H2 Br2 O2
SMILES:	BrC1=CC(=O)C(=CC1=O)Br
InChi:	InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
Definition date:	2022-09-06
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione

K3C

K3C
Name:	2-phenylcyclohexa-2,5-diene-1,4-dione
Formula:	C12 H8 O2
SMILES:	O=C1C=CC(=O)C(=C1)c2ccccc2
InChi:	InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
Definition date:	2022-09-06
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2-phenylcyclohexa-2,5-diene-1,4-dione

<393 394 395 396 397 398 399400401 402 403 404 405 406 407 408 >

243531

数据于2025-10-22公开中

PDB statistics

PDBj update info

Contact PDBj

numon