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PDB Info pages Status search Chemie search: 780 results BIRD

G0D

G0D
Name:	tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C29 H35 N3 O3 S
SMILES:	C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26-/m1/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0M

G0M
Name:	tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C29 H35 N3 O3 S
SMILES:	C(SC(Cc1ccccc1)C(=O)NCc2cnccc2)C(Cc3ccccc3)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C29H35N3O3S/c1-29(2,3)35-28(34)32-25(17-22-11-6-4-7-12-22)21-36-26(18-23-13-8-5-9-14-23)27(33)31-20-24-15-10-16-30-19-24/h4-16,19,25-26H,17-18,20-21H2,1-3H3,(H,31,33)(H,32,34)/t25-,26+/m0/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

G0Y

G0Y
Name:	tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
Formula:	C30 H37 N3 O3 S
SMILES:	C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(=O)NCCc2cccnc2)Cc3ccccc3
InChi:	InChI=1S/C30H37N3O3S/c1-30(2,3)36-29(35)33-26(19-23-11-6-4-7-12-23)22-37-27(20-24-13-8-5-9-14-24)28(34)32-18-16-25-15-10-17-31-21-25/h4-15,17,21,26-27H,16,18-20,22H2,1-3H3,(H,32,34)(H,33,35)/t26-,27+/m1/s1
Definition date:	2018-05-02
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

EUB

EUB
Name:	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
Formula:	C15 H11 N3 O S
SMILES:	Nc1sc2cc(OCc3ccc(cc3)C#N)ccc2n1
InChi:	InChI=1S/C15H11N3OS/c16-8-10-1-3-11(4-2-10)9-19-12-5-6-13-14(7-12)20-15(17)18-13/h1-7H,9H2,(H2,17,18)
Definition date:	2018-04-18
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile

EUE

EUE
Name:	6-methylsulfonyl-1,3-benzothiazol-2-amine
Formula:	C8 H8 N2 O2 S2
SMILES:	C[S](=O)(=O)c1ccc2nc(N)sc2c1
InChi:	InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
Definition date:	2018-04-18
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	6-methylsulfonyl-1,3-benzothiazol-2-amine

EUH

EUH
Name:	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
Formula:	C8 H5 F3 N2 S2
SMILES:	Nc1sc2cc(SC(F)(F)F)ccc2n1
InChi:	InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
Definition date:	2018-04-19
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine

EUK

EUK
Name:	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine
Formula:	C14 H10 Cl2 N2 S2
SMILES:	Nc1sc2cc(SCc3ccc(Cl)c(Cl)c3)ccc2n1
InChi:	InChI=1S/C14H10Cl2N2S2/c15-10-3-1-8(5-11(10)16)7-19-9-2-4-12-13(6-9)20-14(17)18-12/h1-6H,7H2,(H2,17,18)
Definition date:	2018-04-19
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine

EV8

EV8
Name:	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate
Formula:	C23 H24 N4 O4 S
SMILES:	COC(=O)C1CCN(CC1)C(=O)c2ccc(CNC(=O)c3ccc4nc(N)sc4c3)cc2
InChi:	InChI=1S/C23H24N4O4S/c1-31-22(30)16-8-10-27(11-9-16)21(29)15-4-2-14(3-5-15)13-25-20(28)17-6-7-18-19(12-17)32-23(24)26-18/h2-7,12,16H,8-11,13H2,1H3,(H2,24,26)(H,25,28)
Definition date:	2018-04-20
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate

EVW

EVW
Name:	2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
Formula:	C21 H17 N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C21H17N3OS/c22-21-23-17-12-11-16(13-18(17)26-21)20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,22,23)(H,24,25)
Definition date:	2018-04-25
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide

EVZ

EVZ
Name:	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate
Formula:	C22 H23 N3 O3 S2
SMILES:	COC(=O)C1CCN(CC1)C(=O)c2ccc(CSc3ccc4nc(N)sc4c3)cc2
InChi:	InChI=1S/C22H23N3O3S2/c1-28-21(27)16-8-10-25(11-9-16)20(26)15-4-2-14(3-5-15)13-29-17-6-7-18-19(12-17)30-22(23)24-18/h2-7,12,16H,8-11,13H2,1H3,(H2,23,24)
Definition date:	2018-04-26
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

EWK

EWK
Name:	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide
Formula:	C22 H19 N3 O S2
SMILES:	Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1
InChi:	InChI=1S/C22H19N3OS2/c23-22-25-19-11-10-18(12-20(19)28-22)27-14-16-6-8-17(9-7-16)21(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,23,25)(H,24,26)
Definition date:	2018-04-27
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide

EWT

EWT
Name:	2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
Formula:	C15 H11 Cl2 N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)
Definition date:	2018-04-27
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide

HV4

HV4
Name:	(5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C13 H9 N O2 S2
SMILES:	C(#C)COc1ccc(cc1)C=C2/SC(=S)NC2=O
InChi:	InChI=1S/C13H9NO2S2/c1-2-7-16-10-5-3-9(4-6-10)8-11-12(15)14-13(17)18-11/h1,3-6,8H,7H2,(H,14,15,17)/b11-8-
Definition date:	2018-07-23
Last modified:	2019-03-08
Release date:	2019-03-13
Identifier:	(5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

9NX

9NX
Name:	5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
Formula:	C17 H15 Br N4 O2 S
SMILES:	COc1cc(C=Nn2c(SC)nnc2c3ccccc3)c(Br)cc1O
InChi:	InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+
Definition date:	2018-06-11
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	5-bromanyl-2-methoxy-4-[(~{E})-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol

KUV

KUV
Name:	5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Formula:	C20 H22 F3 N7 O S
SMILES:	n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C(F)CC4)N)C
InChi:	InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
Definition date:	2019-01-16
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

G6Z

G6Z
Name:	1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
Formula:	C15 H17 N5 O2 S
SMILES:	CC(=O)c1nc(NC(=O)C2(N)CCC2)sc1c3cncc(N)c3
InChi:	InChI=1S/C15H17N5O2S/c1-8(21)11-12(9-5-10(16)7-18-6-9)23-14(19-11)20-13(22)15(17)3-2-4-15/h5-7H,2-4,16-17H2,1H3,(H,19,20,22)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

G7E

G7E
Name:	~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C21 H25 N5 O4 S
SMILES:	CC(=O)c1nc(NC(=O)C2CNCCN2)sc1c3ccc(cc3)C(=O)N4CCOCC4
InChi:	InChI=1S/C21H25N5O4S/c1-13(27)17-18(31-21(24-17)25-19(28)16-12-22-6-7-23-16)14-2-4-15(5-3-14)20(29)26-8-10-30-11-9-26/h2-5,16,22-23H,6-12H2,1H3,(H,24,25,28)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide

G7H

G7H
Name:	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C20 H23 N5 O3 S
SMILES:	CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O
InChi:	InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide

J8A

J8A
Name:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Formula:	C29 H27 F3 N6 O2 S
SMILES:	c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
InChi:	InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)
Definition date:	2018-08-22
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

FGE

FGE
Name:	~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
Formula:	C14 H12 N4 O4 S2
SMILES:	CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
InChi:	InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)
Definition date:	2018-06-28
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide

J0T

J0T
Name:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Formula:	C25 H26 F2 N6 O5 S
SMILES:	OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5
InChi:	InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21-,22+,23+,24-,25+/m1/s1
Definition date:	2019-01-11
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

J1E

J1E
Name:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Formula:	C25 H26 F2 N6 O5 S
SMILES:	OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5
InChi:	InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21+,22-,23-,24+,25-/m0/s1
Definition date:	2019-01-11
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol

94D

94D
Name:	{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid
Formula:	C11 H15 N2 O4 P S
SMILES:	c2(c1c(sc(N)n1)CC(C)C)ccc(o2)P(O)(O)=O
InChi:	InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	{5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid

94V

94V
Name:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
Formula:	C10 H7 Br Cl N3 O3 S2
SMILES:	c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br
InChi:	InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide

95P

95P
Name:	4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide
Formula:	C8 H4 Br2 Cl N3 O3 S3
SMILES:	c1(sc(cn1)Br)NC(=O)NS(c2cc(c(Cl)s2)Br)(=O)=O
InChi:	InChI=1S/C8H4Br2ClN3O3S3/c9-3-1-5(19-6(3)11)20(16,17)14-7(15)13-8-12-2-4(10)18-8/h1-2H,(H2,12,13,14,15)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide

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