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PDB Info pages Status search Chemie search: 44195 results BIRD

A1BIR

A1BIR
Name:	(3aS,12bR)-asenapine
Formula:	C17 H16 Cl N O
SMILES:	Clc1cc2C3CN(C)CC3c3ccccc3Oc2cc1
InChi:	InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1
Synonyms:	(3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
Definition date:	2024-12-01
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

A1BIZ

A1BIZ
Name:	4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide
Formula:	C27 H25 F3 N8 O3
SMILES:	FC(F)(F)Oc1cc(ncc1)NC(=O)c1ccc(cc1)c1nn(c2ncnc(N)c21)C1CCCN(C1)C(=O)C1CC1
InChi:	InChI=1S/C27H25F3N8O3/c28-27(29,30)41-19-9-10-32-20(12-19)35-25(39)16-5-3-15(4-6-16)22-21-23(31)33-14-34-24(21)38(36-22)18-2-1-11-37(13-18)26(40)17-7-8-17/h3-6,9-10,12,14,17-18H,1-2,7-8,11,13H2,(H2,31,33,34)(H,32,35,39)/t18-/m1/s1
Definition date:	2024-12-02
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide

A1BJE

A1BJE
Name:	3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H13 N5 O
SMILES:	Nc1ncnc2[NH]nc(c12)c1ccc(Oc2ccccc2)cc1
InChi:	InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
Definition date:	2024-12-06
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

A1BKS

A1BKS
Name:	VU6007678
Formula:	C25 H29 F N4 O3 S
SMILES:	Fc1cccc2c1CCC2N(CCC)C(=O)C1CCN(CC1)S(=O)(=O)c1cc2cn[NH]c2cc1
InChi:	InChI=1S/C25H29FN4O3S/c1-2-12-30(24-9-7-20-21(24)4-3-5-22(20)26)25(31)17-10-13-29(14-11-17)34(32,33)19-6-8-23-18(15-19)16-27-28-23/h3-6,8,15-17,24H,2,7,9-14H2,1H3,(H,27,28)/t24-/m1/s1
Definition date:	2024-12-09
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-(1H-indazole-5-sulfonyl)-N-propylpiperidine-4-carboxamide

A1BMQ

A1BMQ
Name:	1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
Formula:	C9 H8 F N3 O
SMILES:	NCc1nc(on1)c1ccccc1F
InChi:	InChI=1S/C9H8FN3O/c10-7-4-2-1-3-6(7)9-12-8(5-11)13-14-9/h1-4H,5,11H2
Definition date:	2024-12-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine

A1BMR

A1BMR
Name:	(2S,3R)-1-benzyl-2-methylpiperidin-3-ol
Formula:	C13 H19 N O
SMILES:	CC1C(O)CCCN1Cc1ccccc1
InChi:	InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3
Definition date:	2024-12-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2S,3R)-1-benzyl-2-methylpiperidin-3-ol

A1BMS

A1BMS
Name:	2-methoxy-N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide
Formula:	C8 H15 N O4 S
SMILES:	O=S1(=O)CCC(C)(NC(=O)COC)C1
InChi:	InChI=1S/C8H15NO4S/c1-8(9-7(10)5-13-2)3-4-14(11,12)6-8/h3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
Definition date:	2024-12-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	2-methoxy-N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide

A1BMV

A1BMV
Name:	[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
Formula:	C11 H15 N3 O
SMILES:	CC1CCCCN1C(=O)c1cnccn1
InChi:	InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
Definition date:	2024-12-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone

A1BMW

A1BMW
Name:	3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide
Formula:	C10 H14 N2 O3
SMILES:	O=C(NCC1CCOC1)c1cc(C)no1
InChi:	InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m0/s1
Definition date:	2024-12-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide

A1BNE

A1BNE
Name:	1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
Formula:	C10 H13 N O2
SMILES:	CNCC1COc2ccccc2O1
InChi:	InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
Definition date:	2025-01-02
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine

A1BUA

A1BUA
Name:	N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
Formula:	C14 H20 N2 O2
SMILES:	Cc1onc(C)c1C(=O)NCCC1=CCCCC1
InChi:	InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)
Definition date:	2025-01-22
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

A1BW7

A1BW7
Name:	4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile
Formula:	C27 H26 N6 O
SMILES:	Cc1nccn1Cc1cc2c(CCc3c2nnn3Cc2ccc(C#N)c(OC)c2)c(c1)C1CC1
InChi:	InChI=1S/C27H26N6O/c1-17-29-9-10-32(17)15-19-11-23(20-5-6-20)22-7-8-25-27(24(22)12-19)30-31-33(25)16-18-3-4-21(14-28)26(13-18)34-2/h3-4,9-13,20H,5-8,15-16H2,1-2H3
Definition date:	2025-02-18
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile

A1BW9

A1BW9
Name:	1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine
Formula:	C31 H31 F N6 O2
SMILES:	Fc1ccc(c(C)c1)c1cc(CN2C=CN(C)C2=N)cc2c1CCc1c2nnn1Cc1cc(OC)cc(OC)c1
InChi:	InChI=1S/C31H31FN6O2/c1-19-11-22(32)5-6-25(19)27-14-21(17-37-10-9-36(2)31(37)33)15-28-26(27)7-8-29-30(28)34-35-38(29)18-20-12-23(39-3)16-24(13-20)40-4/h5-6,9-16,33H,7-8,17-18H2,1-4H3/b33-31+
Definition date:	2025-02-18
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine

A1BWA

A1BWA
Name:	N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide
Formula:	C24 H19 F2 N5 O2 S
SMILES:	CSc1nc(c2cc(NC(=O)c3c(F)cccc3F)ccc2)c([NH]1)c1ccnc(NC(C)=O)c1
InChi:	InChI=1S/C24H19F2N5O2S/c1-13(32)28-19-12-15(9-10-27-19)22-21(30-24(31-22)34-2)14-5-3-6-16(11-14)29-23(33)20-17(25)7-4-8-18(20)26/h3-12H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32)
Definition date:	2025-02-06
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide

A1BXB

A1BXB
Name:	Pritelivir
Formula:	C18 H18 N4 O3 S2
SMILES:	Cc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)c1ccccn1
InChi:	InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
Synonyms:	N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
Definition date:	2025-02-19
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide

A1BY8

A1BY8
Name:	C16 alpha-bromoamide
Formula:	C27 H53 Br N3 O8 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(Br)CCCCCCCCCCCCCC
InChi:	InChI=1S/C27H53BrN3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(28)25(34)31-20-19-29-23(32)17-18-30-26(35)24(33)27(2,3)21-39-40(36,37)38/h22,24,33H,4-21H2,1-3H3,(H,29,32)(H,30,35)(H,31,34)(H2,36,37,38)/t22-,24-/m0/s1
Definition date:	2025-03-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	N-{2-[(2S)-2-bromohexadecanamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

A1CGC

A1CGC
Name:	(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide
Formula:	C20 H14 N4 O2
SMILES:	O=C(/C=C/c1ccncc1)Nc1cc2nc(oc2cc1)c1ccccn1
InChi:	InChI=1S/C20H14N4O2/c25-19(7-4-14-8-11-21-12-9-14)23-15-5-6-18-17(13-15)24-20(26-18)16-3-1-2-10-22-16/h1-13H,(H,23,25)/b7-4+
Definition date:	2025-06-11
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide

A1CGG

A1CGG
Name:	(2Z)-N-[2-(3-methylpyridin-2-yl)-1,3-benzoxazol-5-yl]-3-(pyridin-4-yl)prop-2-enamide
Formula:	C21 H16 N4 O2
SMILES:	Cc1cccnc1c1nc2cc(ccc2o1)NC(=O)C=C/c1ccncc1
InChi:	InChI=1S/C21H16N4O2/c1-14-3-2-10-23-20(14)21-25-17-13-16(5-6-18(17)27-21)24-19(26)7-4-15-8-11-22-12-9-15/h2-13H,1H3,(H,24,26)/b7-4-
Definition date:	2025-06-11
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2Z)-N-[2-(3-methylpyridin-2-yl)-1,3-benzoxazol-5-yl]-3-(pyridin-4-yl)prop-2-enamide

A1CL7

A1CL7
Name:	(1R,2R)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid
Formula:	C13 H14 N2 O2 S
SMILES:	O=C(O)C1CCCC1c1ccc2nc(N)sc2c1
InChi:	InChI=1S/C13H14N2O2S/c14-13-15-10-5-4-7(6-11(10)18-13)8-2-1-3-9(8)12(16)17/h4-6,8-9H,1-3H2,(H2,14,15)(H,16,17)/t8-,9+/m0/s1
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2R)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid

A1CL8

A1CL8
Name:	(2P)-2-(2-carbamamido-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid
Formula:	C14 H13 N3 O3 S
SMILES:	O=C(O)C=1CCCC=1c1ccc2nc(NC(N)=O)sc2c1
InChi:	InChI=1S/C14H13N3O3S/c15-13(20)17-14-16-10-5-4-7(6-11(10)21-14)8-2-1-3-9(8)12(18)19/h4-6H,1-3H2,(H,18,19)(H3,15,16,17,20)
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2P)-2-(2-carbamamido-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid

A1CL9

A1CL9
Name:	(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid
Formula:	C15 H15 N O2
SMILES:	O=C(O)C1CCCC1c1ccc2ncccc2c1
InChi:	InChI=1S/C15H15NO2/c17-15(18)13-5-1-4-12(13)10-6-7-14-11(9-10)3-2-8-16-14/h2-3,6-9,12-13H,1,4-5H2,(H,17,18)/t12-,13+/m0/s1
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid

A1CLR

A1CLR
Name:	(1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid
Formula:	C13 H14 N2 O2
SMILES:	O=C(O)C1CCCC1c1cccc2[NH]ncc12
InChi:	InChI=1S/C13H14N2O2/c16-13(17)10-5-1-3-8(10)9-4-2-6-12-11(9)7-14-15-12/h2,4,6-8,10H,1,3,5H2,(H,14,15)(H,16,17)/t8-,10-/m1/s1
Definition date:	2025-08-04
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid

A1CLU

A1CLU
Name:	(1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid
Formula:	C13 H13 N O3
SMILES:	O=C(O)C1CCCC1c1cc2ncoc2cc1
InChi:	InChI=1S/C13H13NO3/c15-13(16)10-3-1-2-9(10)8-4-5-12-11(6-8)14-7-17-12/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10-/m1/s1
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid

A1CLV

A1CLV
Name:	(1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid
Formula:	C15 H15 N O2
SMILES:	O=C(O)C1CCCC1c1ccc2cnccc2c1
InChi:	InChI=1S/C15H15NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9,13-14H,1-3H2,(H,17,18)/t13-,14+/m0/s1
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid

A1CLW

A1CLW
Name:	(1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid
Formula:	C13 H13 N O2 S
SMILES:	O=C(O)C1CCCC1c1ccc2ncsc2c1
InChi:	InChI=1S/C13H13NO2S/c15-13(16)10-3-1-2-9(10)8-4-5-11-12(6-8)17-7-14-11/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10+/m0/s1
Definition date:	2025-08-05
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid

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