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PDB Info pages Status search Chemie search: 44216 results BIRD

T6I

T6I
Name:	(2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
Formula:	C23 H26 F N O3
SMILES:	C[CH]([CH](NC(=O)[CH](F)c1ccc2CCCCc2c1)c3ccc(C)cc3)C(O)=O
InChi:	InChI=1S/C23H26FNO3/c1-14-7-9-17(10-8-14)21(15(2)23(27)28)25-22(26)20(24)19-12-11-16-5-3-4-6-18(16)13-19/h7-13,15,20-21H,3-6H2,1-2H3,(H,25,26)(H,27,28)/t15-,20+,21+/m1/s1
Definition date:	2023-04-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{R},3~{S})-3-[[(2~{S})-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid

P6X

P6X
Name:	3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
Formula:	C10 H7 Cl2 N3 O S
SMILES:	Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1
InChi:	InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol

VLQ

VLQ
Name:	6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid
Formula:	C19 H16 Cl N O2
SMILES:	O=C(O)c1c(c2cc(Cl)ccc2nc1C(C)C)c1ccccc1
InChi:	InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid

MQF

MQF
Name:	5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Formula:	C15 H15 F6 N O3
SMILES:	FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)C1CCCCC1
InChi:	InChI=1S/C15H15F6NO3/c16-14(17,18)7-25-12-9(8-4-2-1-3-5-8)6-10(13(23)24)11(22-12)15(19,20)21/h6,8H,1-5,7H2,(H,23,24)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

VM3

VM3
Name:	5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline
Formula:	C20 H15 Cl N2
SMILES:	Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35
InChi:	InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline

VM8

VM8
Name:	5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
Formula:	C21 H20 N2
SMILES:	CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24
InChi:	InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline

QG0

QG0
Name:	5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Formula:	C11 H13 Cl N4 S
SMILES:	Sc1nnc(CNc2ccccc2Cl)n1CC
InChi:	InChI=1S/C11H13ClN4S/c1-2-16-10(14-15-11(16)17)7-13-9-6-4-3-5-8(9)12/h3-6,13H,2,7H2,1H3,(H,15,17)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Q0O

Q0O
Name:	(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Formula:	C19 H14 O3
SMILES:	O=C1C=C(O)CC(/C=C2c3ccccc3c3ccccc23)O1
InChi:	InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one

Q1I

Q1I
Name:	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:	C22 H28 N6
SMILES:	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1
InChi:	InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine

TB3

TB3
Name:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid
Formula:	C10 H7 Br Cl N O3
SMILES:	Brc1cc(Cl)c(NC(=O)C=C/C(=O)O)cc1
InChi:	InChI=1S/C10H7BrClNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid

Q29

Q29
Name:	(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid
Formula:	C14 H16 Cl2 O3
SMILES:	O=C(O)C1CCCCC1COc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C14H16Cl2O3/c15-12-6-5-10(7-13(12)16)19-8-9-3-1-2-4-11(9)14(17)18/h5-7,9,11H,1-4,8H2,(H,17,18)/t9-,11-/m1/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid

R9C

R9C
Name:	[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
Formula:	C22 H23 N O2
SMILES:	O=C(O)CC1CCCc2c3cc(C)ccc3n(Cc3ccccc3)c21
InChi:	InChI=1S/C22H23NO2/c1-15-10-11-20-19(12-15)18-9-5-8-17(13-21(24)25)22(18)23(20)14-16-6-3-2-4-7-16/h2-4,6-7,10-12,17H,5,8-9,13-14H2,1H3,(H,24,25)/t17-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid

UV3

UV3
Name:	7-bromo-L-tryptophan
Formula:	C11 H11 Br N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(Br)cccc12)C(O)=O
InChi:	InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2023-02-14
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2~{S})-2-azanyl-3-(7-bromanyl-1~{H}-indol-3-yl)propanoic acid

R9O

R9O
Name:	2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Formula:	C11 H8 Cl N O3 S
SMILES:	O=C(O)c1csc(COc2ccccc2Cl)n1
InChi:	InChI=1S/C11H8ClNO3S/c12-7-3-1-2-4-9(7)16-5-10-13-8(6-17-10)11(14)15/h1-4,6H,5H2,(H,14,15)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid

TQO

TQO
Name:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid
Formula:	C20 H28 O4
SMILES:	O=C(O)CC1CCC2(CC1Cc1ccccc1)OCC(C)(C)CO2
InChi:	InChI=1S/C20H28O4/c1-19(2)13-23-20(24-14-19)9-8-16(11-18(21)22)17(12-20)10-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,21,22)/t16-,17+/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid

QX0

QX0
Name:	2-(3-cyanoanilino)benzoic acid
Formula:	C14 H10 N2 O2
SMILES:	O=C(O)c1ccccc1Nc1cccc(C#N)c1
InChi:	InChI=1S/C14H10N2O2/c15-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)14(17)18/h1-8,16H,(H,17,18)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-(3-cyanoanilino)benzoic acid

QJD

QJD
Name:	[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid
Formula:	C19 H21 N O2
SMILES:	O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1
InChi:	InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid

QJQ

QJQ
Name:	2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid
Formula:	C20 H20 F2 N2 O3 S2
SMILES:	O=C(O)C=1CCCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(C)cs1
InChi:	InChI=1S/C20H20F2N2O3S2/c1-10-9-28-17(23-10)15-13-6-7-20(21,22)8-14(13)29-18(15)24-16(25)11-4-2-3-5-12(11)19(26)27/h9H,2-8H2,1H3,(H,24,25)(H,26,27)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid

QJX

QJX
Name:	(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine
Formula:	C20 H25 N7
SMILES:	CCN(CC)c1nc2CCCCCc2c(c1c1nnn[NH]1)c1ccncc1
InChi:	InChI=1S/C20H25N7/c1-3-27(4-2)20-18(19-23-25-26-24-19)17(14-10-12-21-13-11-14)15-8-6-5-7-9-16(15)22-20/h10-13H,3-9H2,1-2H3,(H,23,24,25,26)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine

LM9

LM9
Name:	(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
Formula:	C13 H8 Cl2 N4 O
SMILES:	Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1
InChi:	InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole

Q4X

Q4X
Name:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:	C20 H19 F2 N3 O5 S
SMILES:	O=C(O)C=1CCOCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)12-8-29-6-4-10(12)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid

W7Z

W7Z
Name:	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H15 Cl N4 O2
SMILES:	Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C
InChi:	InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

QYP

QYP
Name:	(4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
Formula:	C16 H20 Br N O3
SMILES:	O=C(O)C1(CC(=O)Nc2ccc(Br)cc21)CCCCCC
InChi:	InChI=1S/C16H20BrNO3/c1-2-3-4-5-8-16(15(20)21)10-14(19)18-13-7-6-11(17)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3,(H,18,19)(H,20,21)/t16-/m0/s1
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4S)-6-bromo-4-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

W8C

W8C
Name:	5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Formula:	C12 H13 N3 O S
SMILES:	C=CCn1c(S)nnc1OCc1ccccc1
InChi:	InChI=1S/C12H13N3OS/c1-2-8-15-11(13-14-12(15)17)16-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,14,17)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(benzyloxy)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

L8T

L8T
Name:	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H21 N O5 S
SMILES:	O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC
InChi:	InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

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