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: 45252 results BIRD

YL4

YL4
Name:	[(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid
Formula:	C22 H20 N3 O4 P S
SMILES:	c1c(ccc2c1CCO2)C(Nc3ncnc4sc(cc34)c5ccc(cc5)C)P(O)(O)=O
InChi:	InChI=1S/C22H20N3O4PS/c1-13-2-4-14(5-3-13)19-11-17-20(23-12-24-22(17)31-19)25-21(30(26,27)28)16-6-7-18-15(10-16)8-9-29-18/h2-7,10-12,21H,8-9H2,1H3,(H,23,24,25)(H2,26,27,28)/t21-/m1/s1
Definition date:	2016-05-12
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[(R)-(2,3-dihydro-1-benzofuran-5-yl){[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl]phosphonic acid

YL5

YL5
Name:	[(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid
Formula:	C21 H19 F N3 O3 P S
SMILES:	c1c(cccc1F)CC(P(O)(=O)O)Nc2ncnc3c2cc(s3)c4ccc(cc4)C
InChi:	InChI=1S/C21H19FN3O3PS/c1-13-5-7-15(8-6-13)18-11-17-20(23-12-24-21(17)30-18)25-19(29(26,27)28)10-14-3-2-4-16(22)9-14/h2-9,11-12,19H,10H2,1H3,(H,23,24,25)(H2,26,27,28)/t19-/m1/s1
Definition date:	2016-05-12
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid

YL6

YL6
Name:	[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
Formula:	C21 H18 Cl F N3 O3 P S
SMILES:	c1c(Cl)c(C)ccc1c2cc3c(ncnc3s2)NC(Cc4cc(F)ccc4)P(O)(=O)O
InChi:	InChI=1S/C21H18ClFN3O3PS/c1-12-5-6-14(9-17(12)22)18-10-16-20(24-11-25-21(16)31-18)26-19(30(27,28)29)8-13-3-2-4-15(23)7-13/h2-7,9-11,19H,8H2,1H3,(H,24,25,26)(H2,27,28,29)/t19-/m1/s1
Definition date:	2016-05-12
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid

81P

81P
Name:	4-(methylamino)benzoic acid
Formula:	C8 H9 N O2
SMILES:	CNc1ccc(cc1)C(O)=O
InChi:	InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
Definition date:	2016-12-14
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-(methylamino)benzoic acid

82D

82D
Name:	(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Formula:	C22 H25 Br F N3
SMILES:	c12c(cccc1)n(cc2C4CN(Cc3c(Br)cccc3F)CC4N(C)C)C
InChi:	InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1
Definition date:	2016-12-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

82G

82G
Name:	(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Formula:	C24 H28 F N3
SMILES:	c1c2c(ccc1)n(cc2C5CN(C4CCc3cccc(c34)F)CC5N(C)C)C
InChi:	InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
Definition date:	2016-12-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

8EJ

8EJ
Name:	6-methylpyridine-3-carboxamide
Formula:	C7 H8 N2 O
SMILES:	Cc1ccc(cn1)C(N)=O
InChi:	InChI=1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
Definition date:	2017-01-31
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-methylpyridine-3-carboxamide

8H4

8H4
Name:	1~{H}-indazol-5-amine
Formula:	C7 H7 N3
SMILES:	Nc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
Definition date:	2017-02-06
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1~{H}-indazol-5-amine

8HJ

8HJ
Name:	7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C9 H9 N O2
SMILES:	Oc1ccc2CCC(=O)Nc2c1
InChi:	InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
Definition date:	2017-02-07
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one

8M4

8M4
Name:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
Formula:	C27 H29 N3 O4
SMILES:	c4(CC1CCCCC1)cccc(C(Nc2ccc(C(O)=O)cc2Nc3ccc(cc3)OC)=O)n4
InChi:	InChI=1S/C27H29N3O4/c1-34-22-13-11-20(12-14-22)28-25-17-19(27(32)33)10-15-23(25)30-26(31)24-9-5-8-21(29-24)16-18-6-3-2-4-7-18/h5,8-15,17-18,28H,2-4,6-7,16H2,1H3,(H,30,31)(H,32,33)
Definition date:	2017-02-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid

8N7

8N7
Name:	6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
Formula:	C25 H30 N6 O3
SMILES:	C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5
InChi:	InChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31)
Definition date:	2017-02-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide

8P1

8P1
Name:	6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula:	C10 H11 N O
SMILES:	Nc1ccc2C(=O)CCCc2c1
InChi:	InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one

8P4

8P4
Name:	1-(4-fluorophenyl)thiourea
Formula:	C7 H7 F N2 S
SMILES:	NC(=S)Nc1ccc(F)cc1
InChi:	InChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(4-fluorophenyl)thiourea

8P7

8P7
Name:	2-methyl-1~{H}-benzimidazole
Formula:	C8 H8 N2
SMILES:	Cc1[nH]c2ccccc2n1
InChi:	InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-methyl-1~{H}-benzimidazole

8PJ

8PJ
Name:	3-nitropyridin-2-ol
Formula:	C5 H4 N2 O3
SMILES:	Oc1ncccc1[N+]([O-])=O
InChi:	InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8)
Definition date:	2017-02-24
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	3-nitropyridin-2-ol

8RA

8RA
Name:	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Formula:	C11 H15 N3 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ncccc2
InChi:	InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

8RM

8RM
Name:	N-methylquinoline-3-carboxamide
Formula:	C11 H10 N2 O
SMILES:	N(C(=O)c2cc1ccccc1nc2)C
InChi:	InChI=1S/C11H10N2O/c1-12-11(14)9-6-8-4-2-3-5-10(8)13-7-9/h2-7H,1H3,(H,12,14)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-methylquinoline-3-carboxamide

8RP

8RP
Name:	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Formula:	C13 H17 N O3
SMILES:	N2(C(C)=O)CCc1cc(c(cc1C2)OC)OC
InChi:	InChI=1S/C13H17NO3/c1-9(15)14-5-4-10-6-12(16-2)13(17-3)7-11(10)8-14/h6-7H,4-5,8H2,1-3H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one

8RS

8RS
Name:	1-(4-phenylpiperazin-1-yl)ethan-1-one
Formula:	C12 H16 N2 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ccccc2
InChi:	InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(4-phenylpiperazin-1-yl)ethan-1-one

8RV

8RV
Name:	N-(1-benzylpiperidin-4-yl)acetamide
Formula:	C14 H20 N2 O
SMILES:	N(C(C)=O)C1CCN(CC1)Cc2ccccc2
InChi:	InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(1-benzylpiperidin-4-yl)acetamide

8RY

8RY
Name:	N-methylpyrimidine-2-carboxamide
Formula:	C6 H7 N3 O
SMILES:	N(C)C(c1ncccn1)=O
InChi:	InChI=1S/C6H7N3O/c1-7-6(10)5-8-3-2-4-9-5/h2-4H,1H3,(H,7,10)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-methylpyrimidine-2-carboxamide

8S1

8S1
Name:	5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
Formula:	C10 H7 Cl N4
SMILES:	n1cc(c(N)n1c2ccccc2Cl)C#N
InChi:	InChI=1S/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile

8S4

8S4
Name:	1-[(4-methoxyphenyl)methyl]-1H-tetrazole
Formula:	C9 H10 N4 O
SMILES:	n2(Cc1ccc(OC)cc1)cnnn2
InChi:	InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[(4-methoxyphenyl)methyl]-1H-tetrazole

8S7

8S7
Name:	N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide
Formula:	C8 H10 N2 O2
SMILES:	N(c1cc(C)no1)C(C2CC2)=O
InChi:	InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide

8SA

8SA
Name:	5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine
Formula:	C9 H10 N2 O S
SMILES:	N(c1noc(C)c1)Cc2cccs2
InChi:	InChI=1S/C9H10N2OS/c1-7-5-9(11-12-7)10-6-8-3-2-4-13-8/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine

<1183 1184 1185 1186 1187 1188 118911901191 1192 1193 1194 1195 1196 1197 1198 >

235183

PDB entries from 2025-04-23

PDB statistics

PDBj update info

Contact PDBj

numon