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: 35611 results BIRD

KQT

KQT
Name:	Berberine
Formula:	C28 H27 N2 O4
SMILES:	COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC
InChi:	InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1
Definition date:	2019-06-18
Last modified:	2020-05-29
Release date:	2020-06-03

LQ8

LQ8
Name:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
Formula:	C28 H30 N2 O7
SMILES:	OCCOc1cccc2[CH](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O
InChi:	InChI=1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1
Definition date:	2019-08-30
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid

LQK

LQK
Name:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
Formula:	C26 H27 N3 O6
SMILES:	NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc3[CH]2CN4C(=O)c5ccccc5C4=O
InChi:	InChI=1S/C26H27N3O6/c27-23(31)17-8-9-20(17)24(32)28-11-10-16-15(6-3-7-22(16)35-13-12-30)21(28)14-29-25(33)18-4-1-2-5-19(18)26(29)34/h1-7,17,20-21,30H,8-14H2,(H2,27,31)/t17-,20+,21+/m0/s1
Definition date:	2019-08-30
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide

N0Z

N0Z
Name:	2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol
Formula:	C10 H9 N5 O
SMILES:	Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1
InChi:	InChI=1S/C10H9N5O/c11-8-7-5-3-4(16)1-2-6(5)13-9(7)15-10(12)14-8/h1-3,16H,(H5,11,12,13,14,15)
Definition date:	2019-11-05
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol

N4K

N4K
Name:	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole
Formula:	C27 H32 N4 O2 S
SMILES:	Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(OC5CCNCC5)cc4)C6CCC6
InChi:	InChI=1S/C27H32N4O2S/c1-30-24-11-16-34-26(24)17-25(30)27-29-23(19-3-2-4-19)18-31(27)14-15-32-20-5-7-21(8-6-20)33-22-9-12-28-13-10-22/h5-8,11,16-19,22,28H,2-4,9-10,12-15H2,1H3
Definition date:	2019-11-11
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole

O3H

O3H
Name:	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one
Formula:	C19 H21 N5 O S
SMILES:	O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4
InChi:	InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)
Definition date:	2020-01-22
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one

O42

O42
Name:	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H19 N3 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3
InChi:	InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
Definition date:	2020-01-28
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide

OUB

OUB
Name:	(S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
Formula:	C9 H9 N3 O5
SMILES:	N[CH](CN1C(=O)NC(=O)c2cocc12)C(O)=O
InChi:	InChI=1S/C9H9N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h2-3,5H,1,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Definition date:	2020-04-06
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid

PQ5

PQ5
Name:	7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
Formula:	C17 H16 N4 O4
SMILES:	OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3
InChi:	InChI=1S/C17H16N4O4/c22-17(23)12-2-1-11-9-14(12)25-8-7-24-6-4-18-15-3-5-21-16(20-15)13(11)10-19-21/h1-3,5,9-10H,4,6-8H2,(H,18,20)(H,22,23)
Definition date:	2020-04-27
Last modified:	2020-05-29
Release date:	2020-06-03

Q7H

Q7H
Name:	11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C25 H30 N6 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5
InChi:	InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q7K

Q7K
Name:	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C25 H32 N6 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OC5CCOCC5
InChi:	InChI=1S/C25H32N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-5,12-13,16,19H,3,6-11,14-15H2,1-2H3,(H2,26,27,28,29)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q7Q

Q7Q
Name:	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C22 H28 N6 O4
SMILES:	COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
InChi:	InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q7Z

Q7Z
Name:	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C23 H30 N6 O4
SMILES:	COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
InChi:	InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8B

Q8B
Name:	N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
Formula:	C27 H35 N7 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5
InChi:	InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8K

Q8K
Name:	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
Formula:	C22 H24 N6 O2
SMILES:	OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5
InChi:	InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8Q

Q8Q
Name:	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
Formula:	C18 H20 N6 O
SMILES:	CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1
InChi:	InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8T

Q8T
Name:	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C25 H34 N8 O2
SMILES:	CN1CCN(CC1)c2ccc3Nc4ncnc5[nH]cc(CN(C)CCCN(C)C(=O)COc2c3)c45
InChi:	InChI=1S/C25H34N8O2/c1-30-9-11-33(12-10-30)20-6-5-19-13-21(20)35-16-22(34)32(3)8-4-7-31(2)15-18-14-26-24-23(18)25(29-19)28-17-27-24/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H2,26,27,28,29)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8W

Q8W
Name:	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Formula:	C22 H26 N6 O2
SMILES:	C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1
InChi:	InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q98

Q98
Name:	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula:	C17 H17 N5 O2
SMILES:	O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:	InChI=1S/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23)
Definition date:	2020-05-27
Last modified:	2020-05-29
Release date:	2020-06-03

Q9B

Q9B
Name:	8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula:	C18 H19 N5 O
SMILES:	O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:	InChI=1S/C18H19N5O/c24-18-14-6-4-5-13(11-14)15-12-21-23-10-7-16(22-17(15)23)19-8-2-1-3-9-20-18/h4-7,10-12H,1-3,8-9H2,(H,19,22)(H,20,24)
Definition date:	2020-05-27
Last modified:	2020-05-29
Release date:	2020-06-03

QNJ

QNJ
Name:	(3beta,5beta,14beta,17alpha)-cholestan-3-ol
Formula:	C27 H48 O
SMILES:	C1C3(C(CC(C1)O)CCC2C4C(CCC23)(C)C(CC4)C(CCCC(C)C)C)C
InChi:	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:	2019-11-25
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3beta,5beta,14beta,17alpha)-cholestan-3-ol

QNP

QNP
Name:	(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
Formula:	C26 H51 O8 P
SMILES:	CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O
InChi:	InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1
Definition date:	2019-11-25
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate

R8A

R8A
Name:	(2-aminopyridin-3-yl)methanol
Formula:	C6 H8 N2 O
SMILES:	c1nc(N)c(CO)cc1
InChi:	InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2-aminopyridin-3-yl)methanol

R8P

R8P
Name:	(1S)-1-(4-nitrophenyl)ethan-1-ol
Formula:	C8 H9 N O3
SMILES:	c1cc(ccc1[N+]([O-])=O)C(C)O
InChi:	InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1S)-1-(4-nitrophenyl)ethan-1-ol

R8S

R8S
Name:	2-hydrazinyl-4-methoxypyrimidine
Formula:	C5 H8 N4 O
SMILES:	c1(nc(ccn1)OC)NN
InChi:	InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-hydrazinyl-4-methoxypyrimidine

<727 728 729 730 731 732 733734735 736 737 738 739 740 741 742 >

225946

PDB entries from 2024-10-09

PDB statistics

PDBj update info

Contact PDBj

numon