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0ST

0ST
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
Formula:	C21 H31 N5 O2
SMILES:	O=C(NCCN1CCOCC1)Nc3cc(nn3c2ccc(cc2)C)C(C)(C)C
InChi:	InChI=1S/C21H31N5O2/c1-16-5-7-17(8-6-16)26-19(15-18(24-26)21(2,3)4)23-20(27)22-9-10-25-11-13-28-14-12-25/h5-8,15H,9-14H2,1-4H3,(H2,22,23,27)
Definition date:	2012-05-24
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea

0SU

0SU
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
Formula:	C17 H24 N4 O2
SMILES:	O=C(NCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
InChi:	InChI=1S/C17H24N4O2/c1-12-5-7-13(8-6-12)21-15(19-16(23)18-9-10-22)11-14(20-21)17(2,3)4/h5-8,11,22H,9-10H2,1-4H3,(H2,18,19,23)
Definition date:	2012-05-24
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea

0SV

0SV
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
Formula:	C20 H30 N4 O2
SMILES:	O=C(NCCCCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
InChi:	InChI=1S/C20H30N4O2/c1-15-8-10-16(11-9-15)24-18(14-17(23-24)20(2,3)4)22-19(26)21-12-6-5-7-13-25/h8-11,14,25H,5-7,12-13H2,1-4H3,(H2,21,22,26)
Definition date:	2012-05-24
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea

0SW

0SW
Name:	N-(2-phenylethyl)quinazolin-4-amine
Formula:	C16 H15 N3
SMILES:	n2c1c(cccc1)c(nc2)NCCc3ccccc3
InChi:	InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)
Definition date:	2012-05-24
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	N-(2-phenylethyl)quinazolin-4-amine

WPI

WPI
Name:	1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane
Formula:	C33 H48 N2 O6
SMILES:	O(c1cc(cc(OC)c1OC)C=C/CCCN3CCCN(CCCC=Cc2cc(OC)c(OC)c(OC)c2)CC3)C
InChi:	InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+
Definition date:	2012-05-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane

VRZ

VRZ
Name:	1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
Formula:	C25 H26 N6 O
SMILES:	O=C(NCc1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5
InChi:	InChI=1S/C25H26N6O/c26-23-22-21(15-31(20-8-4-5-9-20)24(22)29-16-28-23)18-10-12-19(13-11-18)30-25(32)27-14-17-6-2-1-3-7-17/h1-3,6-7,10-13,15-16,20H,4-5,8-9,14H2,(H2,26,28,29)(H2,27,30,32)
Definition date:	2012-05-28
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea

VS0

VS0
Name:	N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
Formula:	C24 H23 N5 O
SMILES:	O=C(c1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5
InChi:	InChI=1S/C24H23N5O/c25-22-21-20(14-29(19-8-4-5-9-19)23(21)27-15-26-22)16-10-12-18(13-11-16)28-24(30)17-6-2-1-3-7-17/h1-3,6-7,10-15,19H,4-5,8-9H2,(H,28,30)(H2,25,26,27)
Definition date:	2012-05-28
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide

VSA

VSA
Name:	1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
Formula:	C24 H24 N6 O
SMILES:	O=C(Nc1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5
InChi:	InChI=1S/C24H24N6O/c25-22-21-20(14-30(19-8-4-5-9-19)23(21)27-15-26-22)16-10-12-18(13-11-16)29-24(31)28-17-6-2-1-3-7-17/h1-3,6-7,10-15,19H,4-5,8-9H2,(H2,25,26,27)(H2,28,29,31)
Definition date:	2012-05-28
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea

LF0

LF0
Name:	(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
Formula:	C25 H27 N O4
SMILES:	O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCCc2c3)C
InChi:	InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1
Definition date:	2012-12-21
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid

LF2

LF2
Name:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
Formula:	C22 H21 Br Cl N O3
SMILES:	O=C(O)C(OC(C)(C)C)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3
InChi:	InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
Definition date:	2012-09-06
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid

1MJ

1MJ
Name:	1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
Formula:	C8 H6 N2 O
SMILES:	O=Cc1cc2c(nc1)ccn2
InChi:	InChI=1S/C8H6N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-5,9H
Definition date:	2013-03-29
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde

1MN

1MN
Name:	(2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
Formula:	C24 H21 Br2 N O2
SMILES:	Brc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Br)cc2)C)Cc4ccccc4
InChi:	InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1
Definition date:	2013-04-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one

1MO

1MO
Name:	(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one
Formula:	C24 H21 Cl2 N O2
SMILES:	Clc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C)Cc4ccccc4
InChi:	InChI=1S/C24H21Cl2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1
Definition date:	2013-04-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one

1MQ

1MQ
Name:	(2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
Formula:	C28 H24 Cl2 F N O4
SMILES:	Clc1ccc(cc1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(/C=C/C)C(=O)O)Cc4ccc(F)cc4
InChi:	InChI=1S/C28H24Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h2-15,23-26H,16H2,1H3,(H,34,35)/b3-2+/t23-,24+,25-,26+/m1/s1
Definition date:	2013-04-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid

1MT

1MT
Name:	(2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Formula:	C25 H29 Cl2 F N4 O2
SMILES:	Clc1cccc(c1F)C4C(C(=O)NCCN)NC(C24c3c(NC2=O)cc(Cl)cc3)CC(C)(C)C
InChi:	InChI=1S/C25H29Cl2FN4O2/c1-24(2,3)12-18-25(15-8-7-13(26)11-17(15)31-23(25)34)19(14-5-4-6-16(27)20(14)28)21(32-18)22(33)30-10-9-29/h4-8,11,18-19,21,32H,9-10,12,29H2,1-3H3,(H,30,33)(H,31,34)/t18-,19-,21+,25+/m0/s1
Definition date:	2013-04-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide

1MY

1MY
Name:	{(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Formula:	C22 H23 Cl2 N O5
SMILES:	Clc1cccc(c1)C3OC(C(=O)N(C3c2ccc(Cl)cc2)C(CC)CO)CC(=O)O
InChi:	InChI=1S/C22H23Cl2NO5/c1-2-17(12-26)25-20(13-6-8-15(23)9-7-13)21(14-4-3-5-16(24)10-14)30-18(22(25)29)11-19(27)28/h3-10,17-18,20-21,26H,2,11-12H2,1H3,(H,27,28)/t17-,18-,20+,21-/m0/s1
Definition date:	2013-04-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	{(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid

1PJ

1PJ
Name:	1-(4-methoxyphenyl)cyclopropanecarboxylic acid
Formula:	C11 H12 O3
SMILES:	O=C(O)C2(c1ccc(OC)cc1)CC2
InChi:	InChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
Definition date:	2013-04-20
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1-(4-methoxyphenyl)cyclopropanecarboxylic acid

1PK

1PK
Name:	1H-perimidin-2-amine
Formula:	C11 H9 N3
SMILES:	N=3c2cccc1cccc(c12)NC=3N
InChi:	InChI=1S/C11H9N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H3,12,13,14)
Definition date:	2013-04-20
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	1H-perimidin-2-amine

10K

10K
Name:	N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
Formula:	C18 H17 N3 O S
SMILES:	O=C(Nc1cc(nn1)C2CC2)Cc4ccc(c3sccc3)cc4
InChi:	InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
Definition date:	2011-04-05
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide

PTV

PTV
Name:	2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
Formula:	C13 H10 N4 O S2
SMILES:	O=C(c1sccc1)CSc3nc(c2ccncc2)nn3
InChi:	InChI=1S/C13H10N4OS2/c18-10(11-2-1-7-19-11)8-20-13-15-12(16-17-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,16,17)
Definition date:	2012-12-27
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	2-{[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}-1-(thiophen-2-yl)ethanone

PZX

PZX
Name:	pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate
Formula:	C11 H11 N3 O2
SMILES:	O=C(OCc1cccnc1)c2nnc(c2)C
InChi:	InChI=1S/C11H11N3O2/c1-8-5-10(14-13-8)11(15)16-7-9-3-2-4-12-6-9/h2-6H,7H2,1H3,(H,13,14)
Definition date:	2012-12-20
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate

C9M

C9M
Name:	2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol
Formula:	C11 H14 O3
SMILES:	Oc1ccc(cc1OC)/C=C/COC
InChi:	InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+
Definition date:	2012-05-02
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol

SFK

SFK
Name:	N-(4-methylpentanoyl)-L-phenylalanine
Formula:	C15 H21 N O3
SMILES:	O=C(O)C(NC(=O)CCC(C)C)Cc1ccccc1
InChi:	InChI=1S/C15H21NO3/c1-11(2)8-9-14(17)16-13(15(18)19)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:	2013-04-15
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	N-(4-methylpentanoyl)-L-phenylalanine

E34

E34
Name:	ethyl 3,4-diaminobenzoate
Formula:	C9 H12 N2 O2
SMILES:	O=C(OCC)c1cc(N)c(N)cc1
InChi:	InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3
Definition date:	2013-04-20
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	ethyl 3,4-diaminobenzoate

EK1

EK1
Name:	(2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid
Formula:	C31 H31 N3 O4
SMILES:	O=C(O)C(Cc1ccccc1)Cc2cc(c(OCCC)cc2)CNC(=O)c4ccc(c3ncccn3)cc4
InChi:	InChI=1S/C31H31N3O4/c1-2-17-38-28-14-9-23(19-26(31(36)37)18-22-7-4-3-5-8-22)20-27(28)21-34-30(35)25-12-10-24(11-13-25)29-32-15-6-16-33-29/h3-16,20,26H,2,17-19,21H2,1H3,(H,34,35)(H,36,37)/t26-/m1/s1
Definition date:	2012-05-10
Last modified:	2013-04-26
Release date:	2013-05-01
Identifier:	(2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid

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