Chemie Search results for query - Protein Data Bank Japan

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: 36426 results BIRD

V73

V73
Name:	N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide
Formula:	C11 H15 N O2
SMILES:	O=C(Cc1ccccc1)N(C)CCO
InChi:	InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide

VNC

VNC
Name:	methyl N-(benzenesulfonyl)-N-methylglycinate
Formula:	C10 H13 N O4 S
SMILES:	O=S(=O)(N(C)CC(=O)OC)c1ccccc1
InChi:	InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	methyl N-(benzenesulfonyl)-N-methylglycinate

V7C

V7C
Name:	N-[(2R)-2-cyanopropyl]benzamide
Formula:	C11 H12 N2 O
SMILES:	O=C(NCC(C)C#N)c1ccccc1
InChi:	InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[(2R)-2-cyanopropyl]benzamide

W36

W36
Name:	2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide
Formula:	C9 H13 F N2 O2 S
SMILES:	O=S(=O)(Nc1ccc(C)c(F)c1)CCN
InChi:	InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide

W3B

W3B
Name:	methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate
Formula:	C10 H10 Cl F2 N O3
SMILES:	Clc1cc(ccc1OC(F)F)NCC(=O)OC
InChi:	InChI=1S/C10H10ClF2NO3/c1-16-9(15)5-14-6-2-3-8(7(11)4-6)17-10(12)13/h2-4,10,14H,5H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	methyl N-[3-chloro-4-(difluoromethoxy)phenyl]glycinate

WLK

WLK
Name:	[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone
Formula:	C24 H23 N7 O S
SMILES:	O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1
InChi:	InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1
Definition date:	2022-09-28
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone

W3H

W3H
Name:	(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid
Formula:	C10 H11 Cl O4 S
SMILES:	O=S(=O)(c1ccc(Cl)cc1)C(C)CC(=O)O
InChi:	InChI=1S/C10H11ClO4S/c1-7(6-10(12)13)16(14,15)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3R)-3-(4-chlorobenzene-1-sulfonyl)butanoic acid

W3U

W3U
Name:	1-benzyl-1H-pyrazole-4-carboxylic acid
Formula:	C11 H10 N2 O2
SMILES:	O=C(O)c1cn(Cc2ccccc2)nc1
InChi:	InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	1-benzyl-1H-pyrazole-4-carboxylic acid

W3Z

W3Z
Name:	ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate
Formula:	C9 H17 N O4 S
SMILES:	O=S(C)(=O)N1CCCC(C1)C(=O)OCC
InChi:	InChI=1S/C9H17NO4S/c1-3-14-9(11)8-5-4-6-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3/t8-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	ethyl (3S)-1-(methanesulfonyl)piperidine-3-carboxylate

V8E

V8E
Name:	(4-butanoylpiperazin-1-yl)acetic acid
Formula:	C10 H18 N2 O3
SMILES:	OC(=O)CN1CCN(CC1)C(=O)CCC
InChi:	InChI=1S/C10H18N2O3/c1-2-3-9(13)12-6-4-11(5-7-12)8-10(14)15/h2-8H2,1H3,(H,14,15)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(4-butanoylpiperazin-1-yl)acetic acid

W4C

W4C
Name:	2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide
Formula:	C11 H13 Cl2 N O2
SMILES:	O=C(c1ccc(Cl)cc1Cl)N(CC)CCO
InChi:	InChI=1S/C11H13Cl2NO2/c1-2-14(5-6-15)11(16)9-4-3-8(12)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2,4-dichloro-N-ethyl-N-(2-hydroxyethyl)benzamide

W4H

W4H
Name:	N-[(1S)-1-cyanopropyl]benzamide
Formula:	C11 H12 N2 O
SMILES:	O=C(NC(C#N)CC)c1ccccc1
InChi:	InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[(1S)-1-cyanopropyl]benzamide

W4L

W4L
Name:	N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide
Formula:	C12 H18 Cl N3 O
SMILES:	Clc1ccc(CN(CC)CC(=O)NCC)cn1
InChi:	InChI=1S/C12H18ClN3O/c1-3-14-12(17)9-16(4-2)8-10-5-6-11(13)15-7-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~2~-[(6-chloropyridin-3-yl)methyl]-N,N~2~-diethylglycinamide

W4R

W4R
Name:	methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
Formula:	C12 H13 Cl2 N O3
SMILES:	Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC
InChi:	InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate

W4W

W4W
Name:	({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
Formula:	C11 H18 N2 O S
SMILES:	O=C(CSCC#N)N1CCCCC1CC
InChi:	InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile

T0U

T0U
Name:	4,4'-methylenediphenol
Formula:	C13 H12 O2
SMILES:	Oc1ccc(Cc2ccc(O)cc2)cc1
InChi:	InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
Synonyms:	Bisphenol F
Definition date:	2022-07-14
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4,4'-methylenediphenol

T1I

T1I
Name:	(1P)-[1,1'-biphenyl]-3,3'-diol
Formula:	C12 H10 O2
SMILES:	Oc1cc(ccc1)c1cc(O)ccc1
InChi:	InChI=1S/C12H10O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8,13-14H
Synonyms:	3,3'-Biphenol
Definition date:	2022-07-14
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(1P)-[1,1'-biphenyl]-3,3'-diol

U2U

U2U
Name:	N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide
Formula:	C23 H21 N3 O4 S
SMILES:	COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1cc2ccnc(N)c2cc1
InChi:	InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
Definition date:	2022-08-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide

U39

U39
Name:	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
Formula:	C18 H20 N2 O4 S
SMILES:	O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1
InChi:	InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
Definition date:	2022-08-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide

9XL

9XL
Name:	(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid
Formula:	C26 H29 Cl N6 O5
SMILES:	NC(=O)c1cccc(c1)C#CCN(CCC(N)C(=O)O)CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl
InChi:	InChI=1S/C26H29ClN6O5/c27-23-18-6-10-33(25(18)31-14-30-23)20-12-17(21(34)22(20)35)13-32(9-7-19(28)26(37)38)8-2-4-15-3-1-5-16(11-15)24(29)36/h1,3,5-6,10-11,14,17,19-22,34-35H,7-9,12-13,28H2,(H2,29,36)(H,37,38)/t17-,19+,20-,21-,22+/m1/s1
Definition date:	2021-11-01
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid

98O

98O
Name:	(2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C34 H39 Cl F N5 O4
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(cc3Cl)C#Cc4ccc(CN5CCOCC5)cc4)N(C2)C(=O)C6CC6
InChi:	InChI=1S/C34H39ClFN5O4/c35-30-15-23(4-1-22-2-5-24(6-3-22)20-40-11-13-45-14-12-40)7-10-29(30)32(42)38-19-28-17-27(21-41(28)34(44)25-8-9-25)39-33(43)31-16-26(36)18-37-31/h2-3,5-7,10,15,25-28,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t26-,27+,28+,31-/m0/s1
Synonyms:	(2S,4S)-N-[(3R,5R)-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

99I

99I
Name:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C34 H39 F2 N5 O4
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(C#Cc4ccc(CN5CCOCC5)cc4)c(F)c3)N(C2)C(=O)C6CC6
InChi:	InChI=1S/C34H39F2N5O4/c35-27-16-31(37-18-27)33(43)39-28-17-29(41(21-28)34(44)25-8-9-25)19-38-32(42)26-10-7-24(30(36)15-26)6-5-22-1-3-23(4-2-22)20-40-11-13-45-14-12-40/h1-4,7,10,15,25,27-29,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t27-,28+,29+,31-/m0/s1
Synonyms:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[3-fluoranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[3-fluoranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

9A1

9A1
Name:	(4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C27 H29 F N4 O3 S
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3sc(cc3)C#Cc4ccccc4)N(C2)C(=O)C5CC5
InChi:	InChI=1S/C27H29FN4O3S/c28-19-12-23(29-14-19)25(33)31-20-13-21(32(16-20)27(35)18-7-8-18)15-30-26(34)24-11-10-22(36-24)9-6-17-4-2-1-3-5-17/h1-5,10-11,18-21,23,29H,7-8,12-16H2,(H,30,34)(H,31,33)/t19-,20+,21+,23-/m0/s1
Synonyms:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[5-(2-phenylethynyl)thiophen-2-yl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[5-(2-phenylethynyl)thiophen-2-yl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

9B9

9B9
Name:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C30 H35 F N4 O4
SMILES:	COC[CH]1C[CH]1C#CC#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5
InChi:	InChI=1S/C30H35FN4O4/c1-39-18-23-12-22(23)5-3-2-4-19-6-8-20(9-7-19)28(36)33-16-26-14-25(17-35(26)30(38)21-10-11-21)34-29(37)27-13-24(31)15-32-27/h6-9,21-27,32H,10-18H2,1H3,(H,33,36)(H,34,37)/t22-,23+,24+,25-,26-,27+/m1/s1
Synonyms:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[4-[(1R,2R)-2-(methoxymethyl)cyclopropyl]buta-1,3-diynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[4-[(1~{R},2~{R})-2-(methoxymethyl)cyclopropyl]buta-1,3-diynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

9DO

9DO
Name:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Formula:	C32 H37 F N4 O5
SMILES:	COC[CH](O)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5
InChi:	InChI=1S/C32H37FN4O5/c1-42-19-29(38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1
Synonyms:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-1-hydroxy-2-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

<203 204 205 206 207 208 209210211 212 213 214 215 216 217 218 >

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon