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PDB Info pages Status search Chemie search: 43846 results BIRD

A1L4V

A1L4V
Name:	2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid
Formula:	C18 H17 N3 O6 S
SMILES:	CC(C)(NC(=O)C1=C(O)c2ccccc2N(OCc3cscn3)C1=O)C(O)=O
InChi:	InChI=1S/C18H17N3O6S/c1-18(2,17(25)26)20-15(23)13-14(22)11-5-3-4-6-12(11)21(16(13)24)27-7-10-8-28-9-19-10/h3-6,8-9,22H,7H2,1-2H3,(H,20,23)(H,25,26)
Definition date:	2024-10-09
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid

A1H8Q

A1H8Q
Name:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide
Formula:	C8 H9 N5 O S
SMILES:	CCn1nnc(NC(=O)c2sccc2)n1
InChi:	InChI=1S/C8H9N5OS/c1-2-13-11-8(10-12-13)9-7(14)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,9,11,14)
Definition date:	2024-04-18
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide

A1H8U

A1H8U
Name:	[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid
Formula:	C13 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)Cc2cscc2)[P](O)(O)=O
InChi:	InChI=1S/C13H14NO5PS/c15-11-4-2-1-3-10(11)13(20(17,18)19)14-12(16)7-9-5-6-21-8-9/h1-6,8,13,15H,7H2,(H,14,16)(H2,17,18,19)/t13-/m0/s1
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid

A1H8V

A1H8V
Name:	[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid
Formula:	C16 H18 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2scc3CCCCc23)[P](O)(O)=O
InChi:	InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid

A1H8Y

A1H8Y
Name:	1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea
Formula:	C30 H43 N3 O5
SMILES:	COc1cc2[CH]3CC4(C)C[CH](CC(C3)(C4)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6)c2cc1OC
InChi:	InChI=1S/C30H43N3O5/c1-29-14-20-16-30(18-29,17-21(15-29)24-13-26(37-3)25(36-2)12-23(20)24)32-28(35)31-22-4-8-33(9-5-22)27(34)19-6-10-38-11-7-19/h12-13,19-22H,4-11,14-18H2,1-3H3,(H2,31,32,35)/t20-,21+,29-,30-
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30

A1I03

A1I03
Name:	~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide
Formula:	C15 H21 N5 O3
SMILES:	C[CH](n1cccc1)C(=O)NC[C](C)(O)CNC(=O)c2cc[nH]n2
InChi:	InChI=1S/C15H21N5O3/c1-11(20-7-3-4-8-20)13(21)16-9-15(2,23)10-17-14(22)12-5-6-18-19-12/h3-8,11,23H,9-10H2,1-2H3,(H,16,21)(H,17,22)(H,18,19)/t11-,15-/m0/s1
Definition date:	2025-02-03
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide

A1I0O

A1I0O
Name:	4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
Formula:	C8 H11 N3 O3
SMILES:	OC(=O)CCCNC(=O)c1cc[nH]n1
InChi:	InChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13)
Definition date:	2025-01-31
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid

A1I2I

A1I2I
Name:	[[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H18 N3 O13 P3
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N=C1N
InChi:	InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)
Definition date:	2025-02-17
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

A1I6Z

A1I6Z
Name:	Zidesamtinib
Formula:	C22 H22 F N7 O
SMILES:	CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12
InChi:	InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
Definition date:	2025-03-19
Last modified:	2025-04-25
Release date:	2025-04-30

A1IJ9

A1IJ9
Name:	[(S)-(1-benzothiophen-3-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid
Formula:	C16 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2csc3ccccc23)[P](O)(O)=O
InChi:	InChI=1S/C16H14NO5PS/c18-13-7-3-1-6-11(13)16(23(20,21)22)17-15(19)12-9-24-14-8-4-2-5-10(12)14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1
Synonyms:	((Benzo[b]thiophene-3-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid
Definition date:	2024-08-06
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{S})-(1-benzothiophen-3-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid

A1IKA

A1IKA
Name:	[(S)-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid
Formula:	C16 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2sc3ccccc3c2)[P](O)(O)=O
InChi:	InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1
Synonyms:	((Benzo[b]thiophene-2-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid
Definition date:	2024-08-06
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{S})-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid

A1ILE

A1ILE
Name:	1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone
Formula:	C9 H15 N3 O3
SMILES:	CC(=O)N1CN(CN(C1)C(C)=O)C(C)=O
InChi:	InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3
Definition date:	2024-08-15
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone

B7M

B7M
Name:	(10E,12Z)-hexadeca-10,12-dienal
Formula:	C16 H28 O
SMILES:	O=CCCCCCCCCC=CC=C/CCC
InChi:	InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
Definition date:	2009-03-12
Last modified:	2025-04-24
Identifier:	(10E,12Z)-hexadeca-10,12-dienal

HY1

HY1
Name:	PHENYLACETALDEHYDE
Formula:	C8 H8 O
SMILES:	O=CCc1ccccc1
InChi:	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Definition date:	1999-08-26
Last modified:	2025-04-22
Identifier:	phenylacetaldehyde

Y7Z

Y7Z
Name:	UCL1684
Formula:	C34 H30 N4
SMILES:	C1Nc2cc[n](Cc3cccc(C[n]4ccc(NCc5ccc1cc5)c6ccccc46)c3)c7ccccc27
InChi:	InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2
Definition date:	2023-11-28
Last modified:	2025-04-18
Release date:	2025-04-23

WPN

WPN
Name:	~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C14 H18 Br Cl N2 O3 S
SMILES:	ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2
InChi:	InChI=1S/C14H18BrClN2O3S/c15-12-1-3-13(4-2-12)22(20,21)18-7-5-11(6-8-18)10-17-14(19)9-16/h1-4,11H,5-10H2,(H,17,19)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

WPW

WPW
Name:	2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:	C14 H17 Cl2 F N2 O3 S
SMILES:	Fc1cc(ccc1Cl)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C14H17Cl2FN2O3S/c15-8-14(20)18-9-10-3-5-19(6-4-10)23(21,22)11-1-2-12(16)13(17)7-11/h1-2,7,10H,3-6,8-9H2,(H,18,20)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide

WQ0

WQ0
Name:	~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C14 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C14H17BrClFN2O3S/c15-12-2-1-11(7-13(12)17)23(21,22)19-5-3-10(4-6-19)9-18-14(20)8-16/h1-2,7,10H,3-6,8-9H2,(H,18,20)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

WQ5

WQ5
Name:	2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:	C15 H17 Cl F4 N2 O3 S
SMILES:	Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C15H17ClF4N2O3S/c16-8-14(23)21-9-10-3-5-22(6-4-10)26(24,25)11-1-2-12(13(17)7-11)15(18,19)20/h1-2,7,10H,3-6,8-9H2,(H,21,23)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide

WQE

WQE
Name:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:	C15 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCCC3(CN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C15H17BrClFN2O3S/c16-12-3-2-11(6-13(12)18)24(22,23)20-5-1-4-15(10-20)8-19(9-15)14(21)7-17/h2-3,6H,1,4-5,7-10H2
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

WQX

WQX
Name:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:	C14 H15 Br Cl F N2 O4 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C14H15BrClFN2O4S/c15-11-2-1-10(5-12(11)17)24(21,22)19-3-4-23-14(9-19)7-18(8-14)13(20)6-16/h1-2,5H,3-4,6-9H2
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

A1AV9

A1AV9
Name:	Targocil-II
Formula:	C26 H22 Cl N O6
SMILES:	O=C(O)C1CCCN1C(=O)CC1=C(C)c2cc3c(occ3c3ccc(Cl)cc3)c(C)c2OC1=O
InChi:	InChI=1S/C26H22ClNO6/c1-13-17-10-19-20(15-5-7-16(27)8-6-15)12-33-23(19)14(2)24(17)34-26(32)18(13)11-22(29)28-9-3-4-21(28)25(30)31/h5-8,10,12,21H,3-4,9,11H2,1-2H3,(H,30,31)/t21-/m1/s1
Synonyms:	1-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-proline
Definition date:	2024-06-28
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-{[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-D-proline

A1AZU

A1AZU
Name:	4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide
Formula:	C25 H35 N3 O2
SMILES:	CCN(CC)Cc1ccc(cc1)C(=O)N(CCc1ccccc1OC)C1CCNC1
InChi:	InChI=1S/C25H35N3O2/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3/h6-13,23,26H,4-5,14-19H2,1-3H3/t23-/m1/s1
Definition date:	2024-07-24
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	4-[(diethylamino)methyl]-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide

A1B1P

A1B1P
Name:	(1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Formula:	C15 H16 N2 O4
SMILES:	O=C(O)CCC1NC(Cc2c3ccccc3[NH]c21)C(=O)O
InChi:	InChI=1S/C15H16N2O4/c18-13(19)6-5-11-14-9(7-12(16-11)15(20)21)8-3-1-2-4-10(8)17-14/h1-4,11-12,16-17H,5-7H2,(H,18,19)(H,20,21)/t11-,12-/m0/s1
Definition date:	2025-03-20
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

A1B86

A1B86
Name:	benzyl [3-({4-[(1R)-1-aminoethyl]phenyl}carbamoyl)-5-chlorophenyl]carbamate
Formula:	C23 H22 Cl N3 O3
SMILES:	Clc1cc(cc(NC(=O)OCc2ccccc2)c1)C(=O)Nc1ccc(cc1)C(C)N
InChi:	InChI=1S/C23H22ClN3O3/c1-15(25)17-7-9-20(10-8-17)26-22(28)18-11-19(24)13-21(12-18)27-23(29)30-14-16-5-3-2-4-6-16/h2-13,15H,14,25H2,1H3,(H,26,28)(H,27,29)/t15-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	benzyl [3-({4-[(1R)-1-aminoethyl]phenyl}carbamoyl)-5-chlorophenyl]carbamate

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