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: 39969 results BIRD

R62

R62
Name:	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid
Formula:	C21 H22 N2 O2
SMILES:	CC1(C)CCC(C)(C)c2nc(cnc12)C#Cc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C21H22N2O2/c1-20(2)11-12-21(3,4)18-17(20)22-13-16(23-18)10-7-14-5-8-15(9-6-14)19(24)25/h5-6,8-9,13H,11-12H2,1-4H3,(H,24,25)
Definition date:	2020-09-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid

R6B

R6B
Name:	(~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid
Formula:	C23 H27 N O2
SMILES:	CC(C)N1CCC(C)(C)c2cc(ccc12)c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO2/c1-16(2)24-14-13-23(3,4)20-15-19(10-11-21(20)24)18-8-5-17(6-9-18)7-12-22(25)26/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)/b12-7+
Definition date:	2020-09-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid

XZS

XZS
Name:	N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
Formula:	C27 H33 F3 N6 O2 S
SMILES:	c2c(cc(c(C1CCN(CC1)C)c2F)F)Nc3nc(c(C)cn3)Nc4ccc(F)c(NS(C(C)(C)C)(=O)=O)c4
InChi:	InChI=1S/C27H33F3N6O2S/c1-16-15-31-26(33-19-12-21(29)24(22(30)13-19)17-8-10-36(5)11-9-17)34-25(16)32-18-6-7-20(28)23(14-18)35-39(37,38)27(2,3)4/h6-7,12-15,17,35H,8-11H2,1-5H3,(H2,31,32,33,34)
Definition date:	2021-01-22
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide

XZV

XZV
Name:	4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide
Formula:	C14 H18 Cl N3 O3
SMILES:	N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O
InChi:	InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide

XZY

XZY
Name:	4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C12 H13 Cl F3 N3 O3
SMILES:	N(CC(F)(F)F)C(N2CCN(C(=O)c1ccc(Cl)o1)CC2)=O
InChi:	InChI=1S/C12H13ClF3N3O3/c13-9-2-1-8(22-9)10(20)18-3-5-19(6-4-18)11(21)17-7-12(14,15)16/h1-2H,3-7H2,(H,17,21)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

R6M

R6M
Name:	N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide
Formula:	C27 H34 F2 N6 O2 S
SMILES:	c1(c(ccc(c1)Nc4c(C)cnc(Nc3ccc(C2CCN(C)CC2)c(c3)F)n4)F)NS(C(C)(C)C)(=O)=O
InChi:	InChI=1S/C27H34F2N6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33)
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide

R6P

R6P
Name:	(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:	C28 H32 N8
SMILES:	c5c(c2c1c(ncc1)nc(n2)Nc4ccc(C3CCNCC3)cc4)cnn5C(CC#N)C6CCCC6
InChi:	InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m0/s1
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

R6S

R6S
Name:	N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
Formula:	C29 H37 F N6 O2 S
SMILES:	c5c(Nc3nc(Nc2ccc(C1CCN(CC1)C)c(c2)F)ncc3C)cc4c(CCN4S(C(C)(C)C)(=O)=O)c5
InChi:	InChI=1S/C29H37FN6O2S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34)
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine

R6V

R6V
Name:	(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:	C28 H32 N8
SMILES:	c5c(c3nc(Nc2ccc(C1CCNCC1)cc2)nc4nccc34)cnn5C(CC#N)C6CCCC6
InChi:	InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m1/s1
Definition date:	2020-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

Y0A

Y0A
Name:	N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCCCC)=O
InChi:	InChI=1S/C14H21N3O3/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y0D

Y0D
Name:	N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H19 N3 O2 S
SMILES:	N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O
InChi:	InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

Y0G

Y0G
Name:	N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H18 F N3 O4
SMILES:	N2(C(=O)Nc1ccc(OC)cc1F)CCN(CC2)C(c3occc3)=O
InChi:	InChI=1S/C17H18FN3O4/c1-24-12-4-5-14(13(18)11-12)19-17(23)21-8-6-20(7-9-21)16(22)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

RZB

RZB
Name:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C17 H16 Cl N5 O3
SMILES:	N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
InChi:	InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Y0J

Y0J
Name:	N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H16 N4 O4
SMILES:	n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O
InChi:	InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

RZE

RZE
Name:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C16 H14 Cl F N6 O3
SMILES:	N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O
InChi:	InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Y0Y

Y0Y
Name:	4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
Formula:	C17 H19 N3 O4
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(Nc3ccc(OC)cc3)=O
InChi:	InChI=1S/C17H19N3O4/c1-23-14-6-4-13(5-7-14)18-17(22)20-10-8-19(9-11-20)16(21)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,22)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

Y1A

Y1A
Name:	4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NC(C)C)=O
InChi:	InChI=1S/C13H19N3O3/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide

NWS

NWS
Name:	Moco-AMP
Formula:	C20 H26 Mo N10 O15 P2 S2
SMILES:	NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1
InChi:	InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15
Definition date:	2018-12-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate

Y1D

Y1D
Name:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H15 F2 N3 O3
SMILES:	N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O
InChi:	InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1J

Y1J
Name:	N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H19 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O
InChi:	InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1M

Y1M
Name:	N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H21 N3 O3 S
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O
InChi:	InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1P

Y1P
Name:	4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O4
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCCOC)=O
InChi:	InChI=1S/C13H19N3O4/c1-19-10-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-9-20-11/h2-3,9H,4-8,10H2,1H3,(H,14,18)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

Y1S

Y1S
Name:	4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C12 H14 F3 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O
InChi:	InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

Y2G

Y2G
Name:	N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O4
SMILES:	N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O
InChi:	InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

Y2J

Y2J
Name:	4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:	C13 H18 Cl N3 O4
SMILES:	N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O
InChi:	InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

<508 509 510 511 512 513 514515516 517 518 519 520 521 522 523 >

223790

数据于2024-08-14公开中

PDB statistics

PDBj update info

Contact PDBj

numon