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: 35611 results BIRD

BJY

BJY
Name:	5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
Formula:	C29 H34 F3 N6 O4 S
SMILES:	c5(c1CN(CCc1n(CC(O)CN4CCC(c2cnc3cc[n+](cc23)O)CC4)n5)S(C)(=O)=O)c6ccc(cc6)C(F)(F)F
InChi:	InChI=1S/C29H33F3N6O4S/c1-43(41,42)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)34-38(27)16-22(39)15-35-10-6-19(7-11-35)23-14-33-26-8-12-36(40)17-24(23)26/h2-5,8,12,14,17,19,22,39-40H,6-7,9-11,13,15-16,18H2,1H3/p+1/t22-/m0/s1
Definition date:	2017-08-08
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium

PK6

PK6
Name:	N-methyl-2-thiophenesulfonamide
Formula:	C5 H7 N O2 S2
SMILES:	CN[S](=O)(=O)c1sccc1
InChi:	InChI=1S/C5H7NO2S2/c1-6-10(7,8)5-3-2-4-9-5/h2-4,6H,1H3
Definition date:	2016-11-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	~{N}-methylthiophene-2-sulfonamide

BQS

BQS
Name:	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
Formula:	C37 H54 F3 N5 O S
SMILES:	C1CCCCN1CCSc2cc(ccc2C(F)(F)F)c3c4c(n(CCC)n3)CCN(C4)C(=O)CC5CCN(CC5)CC6CCCCC6
InChi:	InChI=1S/C37H54F3N5OS/c1-2-16-45-33-15-21-44(35(46)24-28-13-19-43(20-14-28)26-29-9-5-3-6-10-29)27-31(33)36(41-45)30-11-12-32(37(38,39)40)34(25-30)47-23-22-42-17-7-4-8-18-42/h11-12,25,28-29H,2-10,13-24,26-27H2,1H3
Definition date:	2017-08-23
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one

96T

96T
Name:	3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol
Formula:	C29 H37 N2 O2
SMILES:	CC1(C)C(=CC=CC2=[N+](CCCO)c3ccccc3C2(C)C)N(CCCO)c4ccccc14
InChi:	InChI=1S/C29H37N2O2/c1-28(2)22-12-5-7-14-24(22)30(18-10-20-32)26(28)16-9-17-27-29(3,4)23-13-6-8-15-25(23)31(27)19-11-21-33/h5-9,12-17,32-33H,10-11,18-21H2,1-4H3/q+1
Definition date:	2017-04-26
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	3-[(2~{Z})-2-[(~{E})-3-[3,3-dimethyl-1-(3-oxidanylpropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indol-1-yl]propan-1-ol

B8J

B8J
Name:	1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C33 H35 F3 N8 O2
SMILES:	c21ccccc1N(C(=O)N2C3CCN(CC3)CCCn4c6c(c(n4)c5ccc(cc5)C(F)(F)F)CN(CC6)C(c7ncnc7)=O)C
InChi:	InChI=1S/C33H35F3N8O2/c1-40-28-5-2-3-6-29(28)44(32(40)46)24-11-16-41(17-12-24)14-4-15-43-27-13-18-42(31(45)26-19-37-21-38-26)20-25(27)30(39-43)22-7-9-23(10-8-22)33(34,35)36/h2-3,5-10,19,21,24H,4,11-18,20H2,1H3,(H,37,38)
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one

B8S

B8S
Name:	N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
Formula:	C34 H33 Cl2 F N6 O3
SMILES:	CN5C(=O)N(C1CCN(CC1)CCCN2C(C(=CC=N2)c4ccc(Cl)c(CNC(=O)c3ccc(cc3)F)c4)=O)c6cc(Cl)ccc56
InChi:	InChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44)
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide

B8V

B8V
Name:	(2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
Formula:	C35 H46 F3 N5 O2 S
SMILES:	c1(ccc(C(F)(F)F)c(c1)SCCN2CCCCC2)c3nn(c4c3CNCC4)CC(CN5CCC(CC5)c6ccccc6OC)O
InChi:	InChI=1S/C35H46F3N5O2S/c1-45-32-8-4-3-7-28(32)25-12-17-42(18-13-25)23-27(44)24-43-31-11-14-39-22-29(31)34(40-43)26-9-10-30(35(36,37)38)33(21-26)46-20-19-41-15-5-2-6-16-41/h3-4,7-10,21,25,27,39,44H,2,5-6,11-20,22-24H2,1H3/t27-/m0/s1
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol

B8Y

B8Y
Name:	N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide
Formula:	C34 H33 Cl2 F N6 O3
SMILES:	C1C(CCN(C1)CCCN2C(C(=NC=C2)c4ccc(Cl)c(CNC(=O)c3ccc(cc3)F)c4)=O)N6C(=O)N(C)c5c6cc(cc5)Cl
InChi:	InChI=1S/C34H33Cl2FN6O3/c1-40-29-10-6-25(35)20-30(29)43(34(40)46)27-11-16-41(17-12-27)14-2-15-42-18-13-38-31(33(42)45)23-5-9-28(36)24(19-23)21-39-32(44)22-3-7-26(37)8-4-22/h3-10,13,18-20,27H,2,11-12,14-17,21H2,1H3,(H,39,44)
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide

B9S

B9S
Name:	(2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol
Formula:	C32 H41 F4 N5 O3 S
SMILES:	c1cc(ccc1F)CNCc5cc(c2nn(c3c2CN(CC3)S(C)(=O)=O)CC(CN4CCC(C)(CC4)C)O)ccc5C(F)(F)F
InChi:	InChI=1S/C32H41F4N5O3S/c1-31(2)11-14-39(15-12-31)19-26(42)20-41-29-10-13-40(45(3,43)44)21-27(29)30(38-41)23-6-9-28(32(34,35)36)24(16-23)18-37-17-22-4-7-25(33)8-5-22/h4-9,16,26,37,42H,10-15,17-21H2,1-3H3/t26-/m0/s1
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol

B9Y

B9Y
Name:	1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one
Formula:	C30 H41 F4 N5 O3 S
SMILES:	C(CN1CCC(CC1)F)Sc5cc(c2nn(c3c2CN(CC3)C(CO)=O)CC(O)CN4CCCCC4)ccc5C(F)(F)F
InChi:	InChI=1S/C30H41F4N5O3S/c31-22-6-11-36(12-7-22)14-15-43-27-16-21(4-5-25(27)30(32,33)34)29-24-19-38(28(42)20-40)13-8-26(24)39(35-29)18-23(41)17-37-9-2-1-3-10-37/h4-5,16,22-23,40-41H,1-3,6-15,17-20H2/t23-/m0/s1
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one

BAJ

BAJ
Name:	1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine
Formula:	C34 H45 F4 N5 O2 S
SMILES:	C(c4cc(c1nn(c2CCN(Cc12)S(C)(=O)=O)CCCN3CCC(CC3)C(C)(C)C)ccc4C(F)(F)F)NCc5ccc(cc5)F
InChi:	InChI=1S/C34H45F4N5O2S/c1-33(2,3)27-12-17-41(18-13-27)15-5-16-43-31-14-19-42(46(4,44)45)23-29(31)32(40-43)25-8-11-30(34(36,37)38)26(20-25)22-39-21-24-6-9-28(35)10-7-24/h6-11,20,27,39H,5,12-19,21-23H2,1-4H3
Definition date:	2017-08-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine

BC7

BC7
Name:	2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone
Formula:	C32 H44 F3 N5 O4 S
SMILES:	CC(=O)N1CCc2n(C[CH](O)CN3CCC(CC3)C(C)(C)O)nc(c4ccc(c(SCC(=O)N5CCCC5)c4)C(F)(F)F)c2C1
InChi:	InChI=1S/C32H44F3N5O4S/c1-21(41)39-15-10-27-25(19-39)30(36-40(27)18-24(42)17-37-13-8-23(9-14-37)31(2,3)44)22-6-7-26(32(33,34)35)28(16-22)45-20-29(43)38-11-4-5-12-38/h6-7,16,23-24,42,44H,4-5,8-15,17-20H2,1-3H3/t24-/m1/s1
Definition date:	2017-08-08
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

BCJ

BCJ
Name:	(4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one
Formula:	C34 H49 F3 N6 O5 S2
SMILES:	C[CH]1CCN(CCSc2cc(ccc2C(F)(F)F)c3nn(C[CH](O)CN4CC[CH](CC4)N5C[CH](O)CC5=O)c6CCN(Cc36)[S](C)(=O)=O)CC1
InChi:	InChI=1S/C34H49F3N6O5S2/c1-23-5-10-39(11-6-23)15-16-49-31-17-24(3-4-29(31)34(35,36)37)33-28-22-41(50(2,47)48)14-9-30(28)43(38-33)21-27(45)19-40-12-7-25(8-13-40)42-20-26(44)18-32(42)46/h3-4,17,23,25-27,44-45H,5-16,18-22H2,1-2H3/t26-,27-/m0/s1
Definition date:	2017-08-08
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one

RNK

RNK
Name:	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
Formula:	C11 H12 Cl N3 O S
SMILES:	CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
InChi:	InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3
Definition date:	2016-12-06
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one

CWN

CWN
Name:	NtMe polyamide
Formula:	C58 H71 N20 O10 S
SMILES:	Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncsc4C)cn3C)cn2C)cc1C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C)c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c8)C(=O)NCCC(=O)NCCC[NH+](C)C
InChi:	InChI=1S/C58H70N20O10S/c1-33-49(62-32-89-33)57(87)67-38-23-44(76(8)29-38)55(85)65-36-21-42(74(6)27-36)53(83)63-34-19-40(72(4)25-34)51(81)60-15-11-13-48(80)69-46-31-78(10)50(70-46)58(88)68-39-24-45(77(9)30-39)56(86)66-37-22-43(75(7)28-37)54(84)64-35-20-41(73(5)26-35)52(82)61-17-14-47(79)59-16-12-18-71(2)3/h19-32H,11-18H2,1-10H3,(H,59,79)(H,60,81)(H,61,82)(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,88)(H,69,80)/p+1
Definition date:	2017-12-11
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(5-methyl-1,3-thiazol-4-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium

BYN

BYN
Name:	hydroxylated prenyl-FMN
Formula:	C22 H31 N4 O10 P
SMILES:	Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=C(N4[CH](O)CC(C)(C)c(c1C)c24)C(=O)NC(=N3)O
InChi:	InChI=1S/C22H31N4O10P/c1-9-5-11-16-15(10(9)2)22(3,4)6-14(29)26(16)17-19(23-21(32)24-20(17)31)25(11)7-12(27)18(30)13(28)8-36-37(33,34)35/h5,12-14,18,27-30H,6-8H2,1-4H3,(H2,33,34,35)(H2,23,24,31,32)/t12-,13+,14+,18-/m0/s1
Definition date:	2017-11-01
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[(16~{R})-11,12,14,14-tetramethyl-5,16-bis(oxidanyl)-3-oxidanylidene-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),5,9,11,13(17)-pentaen-8-yl]pentyl] dihydrogen phosphate

E8D

E8D
Name:	2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one
Formula:	C18 H13 F2 N5 O2
SMILES:	c23cnc(Nc1cc(c(c(c1)F)O)F)nc2N(CC(N3)=O)c4ccccc4
InChi:	InChI=1S/C18H13F2N5O2/c19-12-6-10(7-13(20)16(12)27)22-18-21-8-14-17(24-18)25(9-15(26)23-14)11-4-2-1-3-5-11/h1-8,27H,9H2,(H,23,26)(H,21,22,24)
Definition date:	2017-12-13
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one

E8V

E8V
Name:	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
Formula:	C17 H10 F4 N2 O2
SMILES:	c1(cnc(N)c(c1)c2cc(c(c(c2)F)O)F)c3cc(c(c(c3)F)O)F
InChi:	InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23)
Definition date:	2017-12-13
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol)

8Q6

8Q6
Name:	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
Formula:	C20 H21 N O6
SMILES:	CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(C)=O
InChi:	InChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3
Definition date:	2016-12-09
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate

AOZ

AOZ
Name:	Histopine
Formula:	C9 H13 N3 O4
SMILES:	C[CH](N[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O
InChi:	InChI=1S/C9H13N3O4/c1-5(8(13)14)12-7(9(15)16)2-6-3-10-4-11-6/h3-5,7,12H,2H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t5-,7+/m1/s1
Definition date:	2017-08-22
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	3-(1~{H}-imidazol-4-yl)-2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid

AQK

AQK
Name:	(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid
Formula:	C7 H14 N2 O4
SMILES:	NCCC[CH](NCC(O)=O)C(O)=O
InChi:	InChI=1S/C7H14N2O4/c8-3-1-2-5(7(12)13)9-4-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
Definition date:	2017-08-22
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid

AQQ

AQQ
Name:	(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
Formula:	C8 H16 N2 O4
SMILES:	C[CH](N[CH](CCCN)C(O)=O)C(O)=O
InChi:	InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1
Definition date:	2017-08-22
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid

I0D

I0D
Name:	4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
Formula:	C15 H17 Cl N4 O
SMILES:	CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3
InChi:	InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3
Definition date:	2016-12-06
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one

IGF

IGF
Name:	N,2,5-trimethyl-3-thiophenesulfonamide
Formula:	C7 H11 N O2 S2
SMILES:	CN[S](=O)(=O)c1cc(C)sc1C
InChi:	InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3
Definition date:	2016-11-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	~{N},2,5-trimethylthiophene-3-sulfonamide

ACK

ACK
Name:	2',3'- cyclic AMP
Formula:	C10 H12 N5 O6 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34
InChi:	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Definition date:	2006-06-16
Last modified:	2017-12-13
Identifier:	[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(6-aminopurin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol

<936 937 938 939 940 941 942943944 945 946 947 948 949 950 951 >

225946

数据于2024-10-09公开中

PDB statistics

PDBj update info

Contact PDBj

numon