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PDB Info pages Status search Chemie search: 36426 results BIRD

KKB

KKB
Name:	Seladelpar
Formula:	C21 H23 F3 O5 S
SMILES:	CCO[CH](COc1ccc(cc1)C(F)(F)F)CSc2ccc(OCC(O)=O)c(C)c2
InChi:	InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
Definition date:	2019-05-30
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	2-[4-[(2~{R})-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methyl-phenoxy]ethanoic acid

F5W

F5W
Name:	2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine
Formula:	C14 H21 N2
SMILES:	CCC[n+]1c2CCCc2c(N)c3CCCc13
InChi:	InChI=1S/C14H20N2/c1-2-9-16-12-7-3-5-10(12)14(15)11-6-4-8-13(11)16/h15H,2-9H2,1H3/p+1
Synonyms:	2-Propyl-2-azoniatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-amine
Definition date:	2023-06-28
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine

MUO

MUO
Name:	2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid
Formula:	C22 H24 O4 S
SMILES:	CSc1ccc(cc1)C(=O)C=Cc2cc(C)c(OC(C)(C)C(O)=O)c(C)c2
InChi:	InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+
Synonyms:	elafibranor
Definition date:	2023-01-05
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid

OIQ

OIQ
Name:	[(1R,3R,4R,7S)-5-[(E)-N,N'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
Formula:	C14 H22 N5 O8 P
SMILES:	CNC(=NC)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=C(C)C(=O)NC3=O
InChi:	InChI=1S/C14H22N5O8P/c1-7-4-18(13(22)17-10(7)21)11-8-9(20)14(27-11,6-26-28(23,24)25)5-19(8)12(15-2)16-3/h4,8-9,11,20H,5-6H2,1-3H3,(H,15,16)(H,17,21,22)(H2,23,24,25)/t8-,9+,11-,14-/m1/s1
Definition date:	2023-02-02
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	[(1~{R},3~{R},4~{R},7~{S})-5-[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate

OZI

OZI
Name:	(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C18 H18 Cl3 N3 O2 S
SMILES:	ClCC(=O)N1CCN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C18H18Cl3N3O2S/c19-9-17(25)23-5-6-24(12-3-4-14(20)15(21)8-12)16(11-23)18(26)22-10-13-2-1-7-27-13/h1-4,7-8,16H,5-6,9-11H2,(H,22,26)/t16-/m0/s1
Definition date:	2022-09-28
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

0AN

0AN
Name:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Formula:	C28 H26 Cl3 N3 O3 S
SMILES:	Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=Cc4ccccc4Cl)Cc5ccccn5
InChi:	InChI=1S/C28H26Cl3N3O3S/c29-21-14-22(30)16-24(15-21)38(36,37)34-26-9-5-10-27(34)28(35)33(18-23-7-3-4-13-32-23)17-20(26)12-11-19-6-1-2-8-25(19)31/h1-4,6-8,11-16,20,26-27H,5,9-10,17-18H2/b12-11+/t20-,26+,27-/m0/s1
Definition date:	2023-07-10
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

RY0

RY0
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
Formula:	C22 H20 Cl N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C22H20ClN3O2S/c23-16-5-7-18(8-6-16)28-22(9-2-10-22)21(27)26-17-4-1-3-14(11-17)15-12-19(20(24)25)29-13-15/h1,3-8,11-13H,2,9-10H2,(H3,24,25)(H,26,27)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide

RYR

RYR
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
Formula:	C22 H20 F3 N3 O2 S
SMILES:	CC(C)(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C22H20F3N3O2S/c1-21(2,30-17-8-6-15(7-9-17)22(23,24)25)20(29)28-16-5-3-4-13(10-16)14-11-18(19(26)27)31-12-14/h3-12H,1-2H3,(H3,26,27)(H,28,29)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

RZC

RZC
Name:	2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula:	C21 H19 Cl2 N3 O2 S
SMILES:	CC(C)(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H19Cl2N3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

RZL

RZL
Name:	2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
Formula:	C21 H20 Br N3 O2 S
SMILES:	CC(C)(Oc1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H20BrN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

RZT

RZT
Name:	4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
Formula:	C24 H25 Cl N4 O2 S
SMILES:	N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c4)C(N)=N
InChi:	InChI=1S/C24H25ClN4O2S/c25-17-4-6-20(7-5-17)31-24(10-8-18(26)9-11-24)23(30)29-19-3-1-2-15(12-19)16-13-21(22(27)28)32-14-16/h1-7,12-14,18H,8-11,26H2,(H3,27,28)(H,29,30)/t18-,24+
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide

WOL

WOL
Name:	12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione
Formula:	C24 H27 N O2
SMILES:	O=C1CCC2C3CCC4=CC(=O)CCC4(C)C3C=C(c3cccnc3)C21C
InChi:	InChI=1S/C24H27NO2/c1-23-10-9-17(26)12-16(23)5-6-18-19-7-8-22(27)24(19,2)20(13-21(18)23)15-4-3-11-25-14-15/h3-4,11-14,18-19,21H,5-10H2,1-2H3/t18-,19-,21-,23-,24+/m0/s1
Definition date:	2022-10-06
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione

S0O

S0O
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide
Formula:	C21 H21 N3 O2 S
SMILES:	CC(C)(Oc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H21N3O2S/c1-21(2,26-17-9-4-3-5-10-17)20(25)24-16-8-6-7-14(11-16)15-12-18(19(22)23)27-13-15/h3-13H,1-2H3,(H3,22,23)(H,24,25)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide

S0U

S0U
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide
Formula:	C21 H22 N4 O S
SMILES:	CC(C)(Nc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H22N4OS/c1-21(2,25-16-8-4-3-5-9-16)20(26)24-17-10-6-7-14(11-17)15-12-18(19(22)23)27-13-15/h3-13,25H,1-2H3,(H3,22,23)(H,24,26)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide

X6H

X6H
Name:	(4aM,9M)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydropyrimido[1,2-a]purine-6,10-dione
Formula:	C13 H14 N5 O8 P
SMILES:	O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=C1NC(=O)C=CN1C2=O
InChi:	InChI=1S/C13H14N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h1-2,5-7,9,19H,3-4H2,(H,15,16,20)(H2,22,23,24)/t6-,7+,9+/m0/s1
Definition date:	2022-10-31
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(4aM,9M)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydropyrimido[1,2-a]purine-6,10-dione

S1I

S1I
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide
Formula:	C24 H23 F2 N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCC(F)(F)CC3)Oc4ccccc4)c2
InChi:	InChI=1S/C24H23F2N3O2S/c25-24(26)11-9-23(10-12-24,31-19-7-2-1-3-8-19)22(30)29-18-6-4-5-16(13-18)17-14-20(21(27)28)32-15-17/h1-8,13-15H,9-12H2,(H3,27,28)(H,29,30)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide

S1R

S1R
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide
Formula:	C23 H23 N3 O3 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccccc4)c2
InChi:	InChI=1S/C23H23N3O3S/c24-21(25)20-14-17(15-30-20)16-5-4-6-18(13-16)26-22(27)23(9-11-28-12-10-23)29-19-7-2-1-3-8-19/h1-8,13-15H,9-12H2,(H3,24,25)(H,26,27)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide

S2E

S2E
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide
Formula:	C23 H22 Cl N3 O3 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C23H22ClN3O3S/c24-17-4-6-19(7-5-17)30-23(8-10-29-11-9-23)22(28)27-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14H,8-11H2,(H3,25,26)(H,27,28)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide

S2U

S2U
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide
Formula:	C22 H23 N3 O3 S
SMILES:	COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1
InChi:	InChI=1S/C22H23N3O3S/c1-22(2,28-18-9-7-17(27-3)8-10-18)21(26)25-16-6-4-5-14(11-16)15-12-19(20(23)24)29-13-15/h4-13H,1-3H3,(H3,23,24)(H,25,26)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide

S3I

S3I
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide
Formula:	C23 H23 N3 O3 S
SMILES:	CC(=O)c1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1
InChi:	InChI=1S/C23H23N3O3S/c1-14(27)15-7-9-19(10-8-15)29-23(2,3)22(28)26-18-6-4-5-16(11-18)17-12-20(21(24)25)30-13-17/h4-13H,1-3H3,(H3,24,25)(H,26,28)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide

S3U

S3U
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide
Formula:	C24 H25 N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccccc4)c2
InChi:	InChI=1S/C24H25N3O2S/c25-22(26)21-15-18(16-30-21)17-8-7-9-19(14-17)27-23(28)24(12-5-2-6-13-24)29-20-10-3-1-4-11-20/h1,3-4,7-11,14-16H,2,5-6,12-13H2,(H3,25,26)(H,27,28)
Definition date:	2022-12-09
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide

V0R

V0R
Name:	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol
Formula:	C17 H16 N2 O3
SMILES:	Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3
InChi:	InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m1/s1
Definition date:	2023-02-20
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol

WWQ

WWQ
Name:	(3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide
Formula:	C30 H34 N6 O3
SMILES:	CN1CCN(CC1)c1cc(ncc1)C(=O)N1CCCC(C1)C(=O)Nc1cc(ccc1)c1ccc(cc1)C(N)=O
InChi:	InChI=1S/C30H34N6O3/c1-34-14-16-35(17-15-34)26-11-12-32-27(19-26)30(39)36-13-3-5-24(20-36)29(38)33-25-6-2-4-23(18-25)21-7-9-22(10-8-21)28(31)37/h2,4,6-12,18-19,24H,3,5,13-17,20H2,1H3,(H2,31,37)(H,33,38)/t24-/m0/s1
Definition date:	2023-05-19
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide

S6X

S6X
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide
Formula:	C21 H20 Cl N3 O2 S
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N
InChi:	InChI=1S/C21H20ClN3O2S/c1-21(2,27-17-8-6-15(22)7-9-17)20(26)25-16-5-3-4-13(10-16)14-11-18(19(23)24)28-12-14/h3-12H,1-2H3,(H3,23,24)(H,25,26)
Definition date:	2022-12-14
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

S7I

S7I
Name:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide
Formula:	C23 H22 Cl N3 O2 S
SMILES:	NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCC3)Oc4ccc(Cl)cc4)c2
InChi:	InChI=1S/C23H22ClN3O2S/c24-17-6-8-19(9-7-17)29-23(10-1-2-11-23)22(28)27-18-5-3-4-15(12-18)16-13-20(21(25)26)30-14-16/h3-9,12-14H,1-2,10-11H2,(H3,25,26)(H,27,28)
Definition date:	2022-12-14
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide

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