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PDB Info pages Status search Chemie search: 35338 results BIRD

Q67

Q67
Name:	N~2~-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide
Formula:	C21 H16 Cl2 N4 O2
SMILES:	O=C(Nc3cc1c(oc(n1)c2ccncc2)cc3)C(C)Nc4cccc(c4Cl)Cl
InChi:	InChI=1S/C21H16Cl2N4O2/c1-12(25-16-4-2-3-15(22)19(16)23)20(28)26-14-5-6-18-17(11-14)27-21(29-18)13-7-9-24-10-8-13/h2-12,25H,1H3,(H,26,28)/t12-/m0/s1
Definition date:	2015-05-12
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	N~2~-(2,3-dichlorophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]-L-alaninamide

R30

R30
Name:	N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide
Formula:	C22 H21 N5 O2 S
SMILES:	O=C(N(c1ccc(NC(CC)=O)cc1)Cc2cscc2)Cn3nnc4c3cccc4
InChi:	InChI=1S/C22H21N5O2S/c1-2-21(28)23-17-7-9-18(10-8-17)26(13-16-11-12-30-15-16)22(29)14-27-20-6-4-3-5-19(20)24-25-27/h3-12,15H,2,13-14H2,1H3,(H,23,28)
Definition date:	2015-03-06
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide

R8J

R8J
Name:	6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
Formula:	C11 H8 N6 O3
SMILES:	OC(=O)c1ccc(nc1)N2NC=C(n3ccnn3)C2=O
InChi:	InChI=1S/C11H8N6O3/c18-10-8(16-4-3-13-15-16)6-14-17(10)9-2-1-7(5-12-9)11(19)20/h1-6,14H,(H,19,20)
Definition date:	2015-06-04
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	6-[3-oxidanylidene-4-(1,2,3-triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylic acid

KP3

KP3
Name:	5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine
Formula:	C28 H32 N8 O8
SMILES:	O=C2c1c(O)c(c(c(c1CO2)C)OC)CC=C(/C)Cn3cc(nn3)COCC6C(O)C(C(n4cnc5c4ncnc5N)O6)O
InChi:	InChI=1S/C28H32N8O8/c1-13(4-5-16-21(37)19-17(9-43-28(19)40)14(2)24(16)41-3)6-35-7-15(33-34-35)8-42-10-18-22(38)23(39)27(44-18)36-12-32-20-25(29)30-11-31-26(20)36/h4,7,11-12,18,22-23,27,37-39H,5-6,8-10H2,1-3H3,(H2,29,30,31)/b13-4+/t18-,22-,23-,27-/m1/s1
Definition date:	2015-05-12
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine

QZE

QZE
Name:	4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid
Formula:	C24 H16 N4 O3
SMILES:	O=C(O)c1ccc(cc1)C4=C(C#N)C(=O)NC=5c3c(c(c2cnnc2)ccc3)CCC4=5
InChi:	InChI=1S/C24H16N4O3/c25-10-20-21(13-4-6-14(7-5-13)24(30)31)19-9-8-17-16(15-11-26-27-12-15)2-1-3-18(17)22(19)28-23(20)29/h1-7,11-12H,8-9H2,(H,26,27)(H,28,29)(H,30,31)
Definition date:	2014-05-30
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-1,2,5,6-tetrahydrobenzo[h]quinolin-4-yl]benzoic acid

QZK

QZK
Name:	{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
Formula:	C13 H15 N O8 P2 S
SMILES:	O=S(=O)(NC(P(=O)(O)O)P(=O)(O)O)c2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
Definition date:	2014-06-24
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)

LEL

LEL
Name:	2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid
Formula:	C8 H6 N4 O2
SMILES:	O=C(O)c2ccnc(c1nnnc1)c2
InChi:	InChI=1S/C8H6N4O2/c13-8(14)5-1-2-9-6(3-5)7-4-10-12-11-7/h1-4H,(H,13,14)(H,10,11,12)
Definition date:	2014-06-27
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid

45S

45S
Name:	N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide
Formula:	C19 H23 Cl N4 O2
SMILES:	C(c1ccc(C)n1)(=O)N2C(CCC2)C(=O)NCc3c(ccc(Cl)c3)CN
InChi:	InChI=1S/C19H23ClN4O2/c1-12-4-7-16(23-12)19(26)24-8-2-3-17(24)18(25)22-11-14-9-15(20)6-5-13(14)10-21/h4-7,9,17,23H,2-3,8,10-11,21H2,1H3,(H,22,25)/t17-/m0/s1
Definition date:	2015-02-26
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide

490

490
Name:	1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one
Formula:	C25 H23 N5 O2
SMILES:	O=C5C=CC(c1cn(nc1COc4ccc(c3cccc2n(cnc23)C)cc4)C)=CN5C
InChi:	InChI=1S/C25H23N5O2/c1-28-13-18(9-12-24(28)31)21-14-30(3)27-22(21)15-32-19-10-7-17(8-11-19)20-5-4-6-23-25(20)26-16-29(23)2/h4-14,16H,15H2,1-3H3
Definition date:	2015-02-15
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one

4T7

4T7
Name:	(1R)-1-(naphthalen-2-yl)ethane-1,2-diol
Formula:	C12 H12 O2
SMILES:	c1c(ccc2c1cccc2)C(CO)O
InChi:	InChI=1S/C12H12O2/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-14H,8H2/t12-/m0/s1
Definition date:	2015-05-21
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	(1R)-1-(naphthalen-2-yl)ethane-1,2-diol

4UE

4UE
Name:	ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate
Formula:	C15 H15 N3 O2
SMILES:	c1(cc2cc(nc2cc1)C(OCC)=O)c3cncn3C
InChi:	InChI=1S/C15H15N3O2/c1-3-20-15(19)13-7-11-6-10(4-5-12(11)17-13)14-8-16-9-18(14)2/h4-9,17H,3H2,1-2H3
Definition date:	2015-05-28
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-carboxylate

4UF

4UF
Name:	4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
Formula:	C24 H22 N4 O5
SMILES:	c1c4cc(C(=O)OCC)nc4ccc1c3cc(C(=O)NCc2ccc(C(=O)O)cc2)nn3C
InChi:	InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)
Definition date:	2015-05-28
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid

4UM

4UM
Name:	ethyl 5-carbamoyl-1H-indole-2-carboxylate
Formula:	C12 H12 N2 O3
SMILES:	C(=O)(OCC)c1cc2c(n1)ccc(C(N)=O)c2
InChi:	InChI=1S/C12H12N2O3/c1-2-17-12(16)10-6-8-5-7(11(13)15)3-4-9(8)14-10/h3-6,14H,2H2,1H3,(H2,13,15)
Definition date:	2015-05-29
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	ethyl 5-carbamoyl-1H-indole-2-carboxylate

4UT

4UT
Name:	4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide
Formula:	C27 H29 N5 O2
SMILES:	c2(ccc(N1CCN(CC)CC1)cc2)C(=O)Nc3nnc5c3ccc(c4cccc(c4)OC)c5
InChi:	InChI=1S/C27H29N5O2/c1-3-31-13-15-32(16-14-31)22-10-7-19(8-11-22)27(33)28-26-24-12-9-21(18-25(24)29-30-26)20-5-4-6-23(17-20)34-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,28,29,30,33)
Definition date:	2015-06-02
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	4-(4-ethylpiperazin-1-yl)-N-[6-(3-methoxyphenyl)-2H-indazol-3-yl]benzamide

4V3

4V3
Name:	2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose
Formula:	C16 H19 N O9 S
SMILES:	C(O)C1OC(C(C(C1O)O)NC(=O)OCC3=Cc2c(cccc2)S3(=O)=O)O
InChi:	InChI=1S/C16H19NO9S/c18-6-10-13(19)14(20)12(15(21)26-10)17-16(22)25-7-9-5-8-3-1-2-4-11(8)27(9,23)24/h1-5,10,12-15,18-21H,6-7H2,(H,17,22)/t10-,12-,13-,14-,15-/m1/s1
Definition date:	2015-06-04
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose

FZZ

FZZ
Name:	1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol
Formula:	C22 H29 N4 O9 P
SMILES:	O=C1NC(=O)N=C4C1N=C2CC(c3c2c(cc(c3C)C)N4CC(C(C(O)COP(O)(O)=O)O)O)(C)C
InChi:	InChI=1S/C22H29N4O9P/c1-9-5-12-15-11(6-22(3,4)16(15)10(9)2)23-17-19(24-21(31)25-20(17)30)26(12)7-13(27)18(29)14(28)8-35-36(32,33)34/h5,13-14,18,27-29H,6-8H2,1-4H3,(H2,32,33,34)(H2,24,25,30,31)/t13-,14+,18-/m0/s1
Definition date:	2015-04-14
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol

2PJ

2PJ
Name:	tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Formula:	C23 H24 F2 N2 O2
SMILES:	Fc1cc(c(F)cc1)C(CNC(=O)OC(C)(C)C)Cc2cc3ccccc3nc2
InChi:	InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1
Definition date:	2014-04-25
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate

2Q6

2Q6
Name:	methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
Formula:	C44 H55 N5 O5
SMILES:	O=C(OC)NCC(c4ccc(OCCCCCc1ccc(cc1)NC(=O)C(N2C(=O)C(N)CCC2)C3CCCCC3)cc4)Cc5cc6ccccc6nc5
InChi:	InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1
Definition date:	2014-04-29
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate

2QW

2QW
Name:	(2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide
Formula:	C20 H31 N3 O2 Se
SMILES:	O=C(Nc1ccc(cc1)C)C(NC(=O)C(N)CC[Se]C)C2CCCCC2
InChi:	InChI=1S/C20H31N3O2Se/c1-14-8-10-16(11-9-14)22-20(25)18(15-6-4-3-5-7-15)23-19(24)17(21)12-13-26-2/h8-11,15,17-18H,3-7,12-13,21H2,1-2H3,(H,22,25)(H,23,24)/t17-,18-/m0/s1
Definition date:	2014-04-30
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	(2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide

2QX

2QX
Name:	methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Formula:	C44 H54 F N5 O4
SMILES:	O=C(OC)NCC(c1c(F)ccc(c1)CCCCCc2ccc(cc2)NC(=O)C(N3C(=O)C(N)CCC3)C4CCCCC4)Cc5cc6ccccc6nc5
InChi:	InChI=1S/C44H54FN5O4/c1-54-44(53)48-29-35(26-32-25-34-15-8-9-17-40(34)47-28-32)37-27-31(20-23-38(37)45)12-5-2-4-11-30-18-21-36(22-19-30)49-42(51)41(33-13-6-3-7-14-33)50-24-10-16-39(46)43(50)52/h8-9,15,17-23,25,27-28,33,35,39,41H,2-7,10-14,16,24,26,29,46H2,1H3,(H,48,53)(H,49,51)/t35-,39+,41+/m1/s1
Definition date:	2014-04-30
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate

F5C

F5C
Name:	penta-fluorocinnamic acid
Formula:	C9 H3 F5 O2
SMILES:	[C@H](=Cc1c(F)c(F)c(c(c1F)F)F)C(O)=O
InChi:	InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1+
Definition date:	2015-04-14
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	(2E)-3-(pentafluorophenyl)prop-2-enoic acid

4EL

4EL
Name:	3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid
Formula:	C23 H21 N5 O5 S2
SMILES:	c2c(c1ccc(OC)nc1)cc(cc2CNc4ccc(S(=O)(Nc3nnc(C)s3)=O)cc4)C(O)=O
InChi:	InChI=1S/C23H21N5O5S2/c1-14-26-27-23(34-14)28-35(31,32)20-6-4-19(5-7-20)24-12-15-9-17(11-18(10-15)22(29)30)16-3-8-21(33-2)25-13-16/h3-11,13,24H,12H2,1-2H3,(H,27,28)(H,29,30)
Definition date:	2015-03-10
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid

4J7

4J7
Name:	2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine
Formula:	C26 H25 F2 N7 O6 S2
SMILES:	c2c(S(=O)(=O)Cc1cccc([N+]([O-])=O)c1F)cc(c(c2)Sc3nc(c(OC)c(n3)N4CCOCC4)Nc5cc(nn5)C)F
InChi:	InChI=1S/C26H25F2N7O6S2/c1-15-12-21(33-32-15)29-24-23(40-2)25(34-8-10-41-11-9-34)31-26(30-24)42-20-7-6-17(13-18(20)27)43(38,39)14-16-4-3-5-19(22(16)28)35(36)37/h3-7,12-13H,8-11,14H2,1-2H3,(H2,29,30,31,32,33)
Definition date:	2015-03-20
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine

4LC

4LC
Name:	3-(6-{[(2S,3S)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1H-benzimidazol-2-yl)-1H-indole-6-carbonitrile
Formula:	C29 H25 N5 O3
SMILES:	c2(ccc1nc(n(C)c1c2)c3cnc4c3ccc(c4)C#N)C(N6CCOC(c5ccccc5)C6CO)=O
InChi:	InChI=1S/C29H25N5O3/c1-33-25-14-20(29(36)34-11-12-37-27(26(34)17-35)19-5-3-2-4-6-19)8-10-23(25)32-28(33)22-16-31-24-13-18(15-30)7-9-21(22)24/h2-10,13-14,16,26-27,31,35H,11-12,17H2,1H3/t26-,27-/m0/s1
Definition date:	2015-04-10
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	3-(6-{[(2S,3S)-3-(hydroxymethyl)-2-phenylmorpholin-4-yl]carbonyl}-1-methyl-1H-benzimidazol-2-yl)-1H-indole-6-carbonitrile

4LR

4LR
Name:	Dimethylallyl monophosphate
Formula:	C5 H11 O4 P
SMILES:	OP(OCC=C(C)C)(O)=O
InChi:	InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)
Definition date:	2015-04-13
Last modified:	2015-06-12
Release date:	2015-06-17
Identifier:	3-methylbut-2-en-1-yl dihydrogen phosphate

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