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GZO

GZO
Name:	methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate
Formula:	C20 H19 F N8 O2
SMILES:	COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24
InChi:	InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
Definition date:	2020-10-15
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate

H56

H56
Name:	(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one
Formula:	C24 H21 F2 N O3
SMILES:	O[CH](CC[CH]1[CH](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4
InChi:	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
Definition date:	2020-11-11
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	(3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one

J49

J49
Name:	(2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid
Formula:	C17 H18 N6 O7
SMILES:	Nc1ncnc(O)c1NC(=O)Nc2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O)=O
InChi:	InChI=1S/C17H18N6O7/c18-13-12(15(27)20-7-19-13)23-17(30)21-9-3-1-8(2-4-9)14(26)22-10(16(28)29)5-6-11(24)25/h1-4,7,10H,5-6H2,(H,22,26)(H,24,25)(H,28,29)(H2,21,23,30)(H3,18,19,20,27)/t10-/m0/s1
Synonyms:	(4-(3-(4-amino-6-hydroxypyrimidin-5-yl)ureido)benzoyl)-L-glutamic acid
Definition date:	2021-04-05
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	(2~{S})-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid

J4C

J4C
Name:	(2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid
Formula:	C26 H24 Cl2 N6 O7
SMILES:	CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(Nc4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)nc13
InChi:	InChI=1S/C26H24Cl2N6O7/c1-32-20-21(33(2)26(41)34(23(20)38)12-13-3-8-16(27)17(28)11-13)31-25(32)29-15-6-4-14(5-7-15)22(37)30-18(24(39)40)9-10-19(35)36/h3-8,11,18H,9-10,12H2,1-2H3,(H,29,31)(H,30,37)(H,35,36)(H,39,40)/t18-/m0/s1
Synonyms:	(4-((1-(3,4-dichlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)benzoyl)-L-glutamic acid
Definition date:	2021-04-05
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	(2~{S})-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid

J4F

J4F
Name:	3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid
Formula:	C24 H23 Cl N8 O4
SMILES:	CN1C(=O)N(Cc2[nH]c3cccc(Cl)c3c2)C(=O)c4n(C)c(Nc5cc(C)nc(CCC(O)=O)n5)nc14
InChi:	InChI=1S/C24H23ClN8O4/c1-12-9-18(28-17(26-12)7-8-19(34)35)29-23-30-21-20(31(23)2)22(36)33(24(37)32(21)3)11-13-10-14-15(25)5-4-6-16(14)27-13/h4-6,9-10,27H,7-8,11H2,1-3H3,(H,34,35)(H,26,28,29,30)
Synonyms:	3-(4-((1-((4-chloro-1H-indol-2-yl)methyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-6-methylpyrimidin-2-yl)propanoic acid
Definition date:	2021-04-05
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	3-[4-[[1-[(4-chloranyl-1~{H}-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid

J4L

J4L
Name:	1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Formula:	C20 H23 Cl2 N5 O3
SMILES:	CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)c3n(C)c(N[CH]4CC[CH](O)CC4)nc13
InChi:	InChI=1S/C20H23Cl2N5O3/c1-25-16-17(24-19(25)23-12-4-6-13(28)7-5-12)26(2)20(30)27(18(16)29)10-11-3-8-14(21)15(22)9-11/h3,8-9,12-13,28H,4-7,10H2,1-2H3,(H,23,24)/t12-,13-
Definition date:	2021-04-05
Last modified:	2021-08-06
Release date:	2021-08-11
Identifier:	1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(4-oxidanylcyclohexyl)amino]purine-2,6-dione

V7Q

V7Q
Name:	2,1,3-benzothiadiazol-4-ylmethanamine
Formula:	C7 H7 N3 S
SMILES:	NCc1cccc2nsnc12
InChi:	InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2
Synonyms:	Benzo[c][1,2,5]thiadiazol-4-ylmethanamine
Definition date:	2021-04-23
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	2,1,3-benzothiadiazol-4-ylmethanamine

V82

V82
Name:	[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
Formula:	C50 H54 F N13 O17
SMILES:	CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2
InChi:	InChI=1S/C50H54FN13O17/c1-26(65)52-19-29-24-64(50(79)81-29)28-11-12-36(33(51)17-28)61-13-15-62(16-14-61)49(78)80-25-63-23-27(59-60-63)18-54-47(76)35(58-46(75)32-7-4-10-39(68)43(32)72)21-55-48(77)34(57-45(74)31-6-3-9-38(67)42(31)71)20-53-40(69)22-56-44(73)30-5-2-8-37(66)41(30)70/h2-12,17,23,29,34-35,66-68,70-72H,13-16,18-22,24-25H2,1H3,(H,52,65)(H,53,69)(H,54,76)(H,55,77)(H,56,73)(H,57,74)(H,58,75)/t29-,34-,35-/m0/s1
Definition date:	2021-04-26
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

VN1

VN1
Name:	4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
Formula:	C22 H33 N9 O2
SMILES:	CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(cc(/C(N)=N)cc3)OC)CC
InChi:	InChI=1S/C22H33N9O2/c1-4-15(2)21(18-13-30(28-27-18)10-6-5-9-23)31-12-17(26-29-31)14-33-19-8-7-16(22(24)25)11-20(19)32-3/h7-8,11-13,15,21H,4-6,9-10,14,23H2,1-3H3,(H3,24,25)/t15-,21-/m0/s1
Definition date:	2020-08-28
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide

UTB

UTB
Name:	1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
Formula:	C27 H20 N2 O5
SMILES:	OC[CH]1O[CH](C[CH]1O)N2C=C(C#Cc3ccc4ccc5cccc6ccc3c4c56)C(=O)NC2=O
InChi:	InChI=1S/C27H20N2O5/c30-14-22-21(31)12-23(34-22)29-13-19(26(32)28-27(29)33)9-5-15-4-6-18-8-7-16-2-1-3-17-10-11-20(15)25(18)24(16)17/h1-4,6-8,10-11,13,21-23,30-31H,12,14H2,(H,28,32,33)/t21-,22+,23+/m0/s1
Definition date:	2021-03-17
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione

YXP

YXP
Name:	{(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
Formula:	C13 H11 N O5 S
SMILES:	OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O
InChi:	InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
Definition date:	2021-04-06
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	{(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid

LMO

LMO
Name:	dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
Formula:	C24 H46 O11
SMILES:	C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O
InChi:	InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1
Synonyms:	DDMB
Definition date:	2020-12-21
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside

V07

V07
Name:	7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
Formula:	C19 H21 F N4
SMILES:	c3(n1c(c(cn1)c2ccc(cc2)F)nc(C)c3)N4CCCCCC4
InChi:	InChI=1S/C19H21FN4/c1-14-12-18(23-10-4-2-3-5-11-23)24-19(22-14)17(13-21-24)15-6-8-16(20)9-7-15/h6-9,12-13H,2-5,10-11H2,1H3
Synonyms:	MAC-0547630
Definition date:	2020-06-09
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	7-(azepan-1-yl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

V0D

V0D
Name:	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
Formula:	C20 H23 F N4
SMILES:	C1N(CCCCC1)c4n2c(c(cn2)c3ccc(cc3)F)nc(c4)CC
InChi:	InChI=1S/C20H23FN4/c1-2-17-13-19(24-11-5-3-4-6-12-24)25-20(23-17)18(14-22-25)15-7-9-16(21)10-8-15/h7-10,13-14H,2-6,11-12H2,1H3
Definition date:	2020-06-09
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

T1T

T1T
Name:	7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide
Formula:	C17 H12 F3 N5 O S
SMILES:	FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25
InChi:	InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1
Definition date:	2020-12-11
Last modified:	2021-07-30
Release date:	2021-08-04

V17

V17
Name:	(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone
Formula:	C28 H29 N5 O S
SMILES:	C1(CCN(CC1)C(c2ccc(cc2)Nc3nccc(n3)c4cc5c(s4)cccc5)=O)N6CCCC6
InChi:	InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
Definition date:	2020-06-12
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone

T2Z

T2Z
Name:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
Formula:	C30 H48 O9
SMILES:	CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C
InChi:	InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1
Definition date:	2020-12-14
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate

XKJ

XKJ
Name:	dodecyl beta-D-glucopyranoside
Formula:	C18 H36 O6
SMILES:	C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O
InChi:	InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	dodecyl beta-D-glucopyranoside

RXE

RXE
Name:	~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
Formula:	C23 H22 Br4 Cl2 N4 O2
SMILES:	Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl
InChi:	InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35)
Synonyms:	KN2
Definition date:	2020-10-29
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide

VZG

VZG
Name:	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
Formula:	C24 H26 N8 O4
SMILES:	C(c2c(cc(NC(C1CC1)=O)nn2)Nc3c(c(ccc3)c4ccc(nn4)C(=O)N(C)C)OC)(NC)=O
InChi:	InChI=1S/C24H26N8O4/c1-25-23(34)20-18(12-19(30-31-20)27-22(33)13-8-9-13)26-16-7-5-6-14(21(16)36-4)15-10-11-17(29-28-15)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,26,27,30,33)
Definition date:	2020-09-24
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide

VZJ

VZJ
Name:	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
Formula:	C21 H21 N7 O3
SMILES:	COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4
InChi:	InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
Definition date:	2020-09-24
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide

TQG

TQG
Name:	N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid
Formula:	C14 H15 N O8
SMILES:	O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O
InChi:	InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1
Definition date:	2020-03-26
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid

QPZ

QPZ
Name:	1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide
Formula:	C18 H18 N2 O3 S
SMILES:	CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
InChi:	InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3
Definition date:	2020-07-22
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide

TK9

TK9
Name:	(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
Formula:	C21 H22 F3 N O4
SMILES:	CC[CH](Cc1ccc(cc1)C(=O)NCc2ccc(OC)cc2C(F)(F)F)C(O)=O
InChi:	InChI=1S/C21H22F3NO4/c1-3-14(20(27)28)10-13-4-6-15(7-5-13)19(26)25-12-16-8-9-17(29-2)11-18(16)21(22,23)24/h4-9,11,14H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t14-/m1/s1
Definition date:	2020-09-01
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid

QRB

QRB
Name:	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
Formula:	C18 H19 N3 O3
SMILES:	NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO
InChi:	InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23)
Definition date:	2020-07-29
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide

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