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TG3

TG3
Name:	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:	C33 H52 N4 O8
SMILES:	CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc2ccccc2)[CH](C)OC(C)(C)C
InChi:	InChI=1S/C33H52N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-13,21-22,24-26,28H,8,14-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,24+,25-,26+,28+/m1/s1
Definition date:	2020-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	ethyl (4~{R})-4-[[(2~{S})-4-methyl-2-[[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate

U5A

U5A
Name:	[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:	C10 H17 N7 O2
SMILES:	NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3
InChi:	InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1
Definition date:	2020-04-23
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

C2I

C2I
Name:	9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3H-purin-6-one
Formula:	C20 H22 N8 O14 P2
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]2O[CH]1n4cnc5C(=O)N=CNc45)n6cnc7C(=O)N=CNc67
InChi:	InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8+,11-,12-,13-,14-,19+,20+/m0/s1
Definition date:	2019-06-11
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{S},17~{R},18~{S})-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3~{H}-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3~{H}-purin-6-one

EGF

EGF
Name:	~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C33 H41 N5 O8
SMILES:	CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4
InChi:	InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1
Definition date:	2019-12-20
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

I14

I14
Name:	N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide
Formula:	C20 H21 N5 O2
SMILES:	c3(N)c1c(n(CCOC)cc1C#Cc2c(ccc(c2)NC(C)=O)C)ncn3
InChi:	InChI=1S/C20H21N5O2/c1-13-4-7-17(24-14(2)26)10-15(13)5-6-16-11-25(8-9-27-3)20-18(16)19(21)22-12-23-20/h4,7,10-12H,8-9H2,1-3H3,(H,24,26)(H2,21,22,23)
Definition date:	2020-04-13
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide

KLB

KLB
Name:	5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
Formula:	C14 H12 N4 S
SMILES:	NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3
InChi:	InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)
Definition date:	2019-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide

KLE

KLE
Name:	5-phenylthiophene-2-carboximidamide
Formula:	C11 H10 N2 S
SMILES:	NC(=N)c1sc(cc1)c2ccccc2
InChi:	InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
Definition date:	2019-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-phenylthiophene-2-carboximidamide

KLZ

KLZ
Name:	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
Formula:	C10 H9 Cl N2 S2
SMILES:	NC(=N)c1sc2cc(CS)cc(Cl)c2c1
InChi:	InChI=1S/C10H9ClN2S2/c11-7-1-5(4-14)2-8-6(7)3-9(15-8)10(12)13/h1-3,14H,4H2,(H3,12,13)
Definition date:	2019-06-06
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

KM2

KM2
Name:	7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
Formula:	C12 H16 N4 S
SMILES:	C[CH](CN)Nc1cccc2cc(sc12)C(N)=N
InChi:	InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1
Definition date:	2019-06-07
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide

KM8

KM8
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
Formula:	C14 H15 N3 O S
SMILES:	CCC(=O)Nc1cccc(c1)c2csc(c2)C(N)=N
InChi:	InChI=1S/C14H15N3OS/c1-2-13(18)17-11-5-3-4-9(6-11)10-7-12(14(15)16)19-8-10/h3-8H,2H2,1H3,(H3,15,16)(H,17,18)
Definition date:	2019-06-07
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide

KTW

KTW
Name:	4-chloranyl-1-benzothiophene-2-carboximidamide
Formula:	C9 H7 Cl N2 S
SMILES:	NC(=N)c1sc2cccc(Cl)c2c1
InChi:	InChI=1S/C9H7ClN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
Definition date:	2019-06-26
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-chloranyl-1-benzothiophene-2-carboximidamide

L1T

L1T
Name:	4-methyl-5-phenyl-thiophene-2-carboximidamide
Formula:	C12 H12 N2 S
SMILES:	Cc1cc(sc1c2ccccc2)C(N)=N
InChi:	InChI=1S/C12H12N2S/c1-8-7-10(12(13)14)15-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
Definition date:	2019-07-15
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-methyl-5-phenyl-thiophene-2-carboximidamide

JT2

JT2
Name:	4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
Formula:	C13 H18 N4 S2
SMILES:	C[CH](CN)Nc1cc(CS)cc2sc(cc12)C(N)=N
InChi:	InChI=1S/C13H18N4S2/c1-7(5-14)17-10-2-8(6-18)3-11-9(10)4-12(19-11)13(15)16/h2-4,7,17-18H,5-6,14H2,1H3,(H3,15,16)/t7-/m0/s1
Definition date:	2019-03-26
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide

LCQ

LCQ
Name:	2-phenylazanyl-9~{H}-purine-6-carbonitrile
Formula:	C12 H8 N6
SMILES:	N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13
InChi:	InChI=1S/C12H8N6/c13-6-9-10-11(15-7-14-10)18-12(17-9)16-8-4-2-1-3-5-8/h1-5,7H,(H2,14,15,16,17,18)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-phenylazanyl-9~{H}-purine-6-carbonitrile

LCW

LCW
Name:	2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
Formula:	C15 H14 N6 O
SMILES:	NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1
InChi:	InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide

LD5

LD5
Name:	4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
Formula:	C13 H12 N6 O2 S
SMILES:	N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2)cc1
InChi:	InChI=1S/C13H12N6O2S/c1-2-10-11-12(16-7-15-11)19-13(18-10)17-8-3-5-9(6-4-8)22(14,20)21/h2-7H,1H2,(H2,14,20,21)(H2,15,16,17,18,19)
Definition date:	2019-08-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide

LF5

LF5
Name:	4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
Formula:	C12 H13 Cl N2 O S
SMILES:	CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N
InChi:	InChI=1S/C12H13ClN2OS/c1-6(2)16-9-4-3-8(13)7-5-10(12(14)15)17-11(7)9/h3-6H,1-2H3,(H3,14,15)
Definition date:	2019-08-10
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide

LFB

LFB
Name:	7-methoxy-1-benzothiophene-2-carboximidamide
Formula:	C10 H10 N2 O S
SMILES:	COc1cccc2cc(sc12)C(N)=N
InChi:	InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)
Definition date:	2019-08-12
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-methoxy-1-benzothiophene-2-carboximidamide

LFQ

LFQ
Name:	5-methyl-4-phenyl-thiophene-2-carboximidamide
Formula:	C12 H12 N2 S
SMILES:	Cc1sc(cc1c2ccccc2)C(N)=N
InChi:	InChI=1S/C12H12N2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)
Definition date:	2019-08-13
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-methyl-4-phenyl-thiophene-2-carboximidamide

LJW

LJW
Name:	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
Formula:	C13 H17 N3 O S
SMILES:	CNc1ccc(OC(C)C)c2sc(cc12)C(N)=N
InChi:	InChI=1S/C13H17N3OS/c1-7(2)17-10-5-4-9(16-3)8-6-11(13(14)15)18-12(8)10/h4-7,16H,1-3H3,(H3,14,15)
Definition date:	2019-08-20
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide

MYW

MYW
Name:	Nidocarborane
Formula:	C5 H8 B9 N O2 S
SMILES:	N[S](=O)(=O)CCC[C+]123[B]45[B+]67[B-]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:	InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12/h1-3H2,(H2,15,16,17)/q+1
Definition date:	2019-10-29
Last modified:	2020-06-12
Release date:	2020-06-17

DT0

DT0
Name:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine
Formula:	C32 H54 N10 O5
SMILES:	NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CCCNC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC1=O)NC(N)=N)c2
InChi:	InChI=1S/C32H54N10O5/c33-15-4-1-11-24-29(45)37-17-6-3-13-25(42-32(35)36)30(46)38-18-8-14-27(43)39-21-23-10-7-9-22(19-23)20-28(44)40-26(31(47)41-24)12-2-5-16-34/h7,9-10,19,24-26H,1-6,8,11-18,20-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25+,26-/m0/s1
Definition date:	2019-08-23
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine

DUU

DUU
Name:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine
Formula:	C32 H54 N10 O5
SMILES:	NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2ccc(CNC(=O)CCCNC(=O)[CH](CCCCNC1=O)NC(N)=N)cc2
InChi:	InChI=1S/C32H54N10O5/c33-16-4-1-8-24-29(45)37-18-6-3-10-25(42-32(35)36)30(46)38-19-7-11-27(43)39-21-23-14-12-22(13-15-23)20-28(44)40-26(31(47)41-24)9-2-5-17-34/h12-15,24-26H,1-11,16-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25+,26-/m0/s1
Definition date:	2019-09-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine

DV0

DV0
Name:	1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
Formula:	C31 H52 N10 O5
SMILES:	C[CH]1NC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC1=O)c2)NC(N)=N
InChi:	InChI=1S/C31H52N10O5/c1-20-27(43)37-19-22-10-8-9-21(17-22)18-26(42)39-24(12-3-6-15-33)30(46)40-23(11-2-5-14-32)28(44)36-16-7-4-13-25(29(45)38-20)41-31(34)35/h8-10,17,20,23-25H,2-7,11-16,18-19,32-33H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,42)(H,40,46)(H4,34,35,41)/t20-,23+,24+,25-/m1/s1
Definition date:	2019-09-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine

K48

K48
Name:	5-azanyl-4-phenyl-thiophene-2-carboximidamide
Formula:	C11 H11 N3 S
SMILES:	NC(=N)c1sc(N)c(c1)c2ccccc2
InChi:	InChI=1S/C11H11N3S/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-6H,14H2,(H3,12,13)
Definition date:	2019-04-19
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-azanyl-4-phenyl-thiophene-2-carboximidamide

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