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PDB Info pages Status search Chemie search: 44195 results BIRD

A1BKY

A1BKY
Name:	N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
Formula:	C18 H15 Br N2 O3 S2
SMILES:	CS(=O)(=O)Nc1cc(cc(Br)c1)NC(=O)c1cc(cs1)c1ccccc1
InChi:	InChI=1S/C18H15BrN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22)
Definition date:	2024-12-11
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

A1BKZ

A1BKZ
Name:	N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
Formula:	C18 H16 N2 O3 S2
SMILES:	CS(=O)(=O)Nc1cccc(c1)NC(=O)c1cc(cs1)c1ccccc1
InChi:	InChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)
Definition date:	2024-12-11
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

A1BYY

A1BYY
Name:	4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile
Formula:	C22 H16 Cl N7 O2 S
SMILES:	O=S(=O)(c1cccc2cc(CCC#N)ccc21)n1nc(Nc2ccc(C#N)c(Cl)c2)nc1N
InChi:	InChI=1S/C22H16ClN7O2S/c23-19-12-17(8-7-16(19)13-25)27-22-28-21(26)30(29-22)33(31,32)20-5-1-4-15-11-14(3-2-10-24)6-9-18(15)20/h1,4-9,11-12H,2-3H2,(H3,26,27,28,29)
Definition date:	2025-03-04
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile

A1D9F

A1D9F
Name:	~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide
Formula:	C23 H28 F N O3 S2
SMILES:	CSc1ccccc1c2ccc(C(=O)N(C)CC3(F)CCCCC3)c(c2)[S](C)(=O)=O
InChi:	InChI=1S/C23H28FNO3S2/c1-25(16-23(24)13-7-4-8-14-23)22(26)19-12-11-17(15-21(19)30(3,27)28)18-9-5-6-10-20(18)29-2/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3
Definition date:	2024-06-20
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide

A1EAA

A1EAA
Name:	~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide
Formula:	C29 H25 F N4 O4
SMILES:	Cc1c(C)c(Oc2ccnc(NC(=O)C3CC3)c2)ccc1NC(=O)C4=CC=CN(C4=O)c5ccc(F)cc5
InChi:	InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)
Synonyms:	Ripk3-IN-1
Definition date:	2024-07-30
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	~{N}-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,3-dimethyl-phenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide

A1EB3

A1EB3
Name:	N-[5-[[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-[(phenylmethyl)carbamoyl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]propanamide
Formula:	C36 H46 N8 O2
SMILES:	CCC(=O)Nc1cc(ccc1N2CC[CH](CC2)N(C)C)N([CH]3CC[CH](CC3)Nc4ccc(cn4)C#N)C(=O)NCc5ccccc5
InChi:	InChI=1S/C36H46N8O2/c1-4-35(45)41-32-22-31(15-16-33(32)43-20-18-29(19-21-43)42(2)3)44(36(46)39-24-26-8-6-5-7-9-26)30-13-11-28(12-14-30)40-34-17-10-27(23-37)25-38-34/h5-10,15-17,22,25,28-30H,4,11-14,18-21,24H2,1-3H3,(H,38,40)(H,39,46)(H,41,45)/t28-,30-
Synonyms:	YJZ5118
Definition date:	2024-09-19
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	~{N}-[5-[[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-[(phenylmethyl)carbamoyl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]propanamide

A1EJO

A1EJO
Name:	3-[2-[(2~{S})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C20 H24 N6 S
SMILES:	CC[CH](C)c1sc2ccc(cc2n1)c3nn(c4ncnc(N)c34)C(C)(C)C
InChi:	InChI=1S/C20H24N6S/c1-6-11(2)19-24-13-9-12(7-8-14(13)27-19)16-15-17(21)22-10-23-18(15)26(25-16)20(3,4)5/h7-11H,6H2,1-5H3,(H2,21,22,23)/t11-/m0/s1
Definition date:	2025-01-16
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	3-[2-[(2~{S})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine

A1EKY

A1EKY
Name:	3-(4-phenoxyphenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C22 H22 N6 O
SMILES:	Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)C5CCNCC5
InChi:	InChI=1S/C22H22N6O/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)27-28(22(19)26-14-25-21)16-10-12-24-13-11-16/h1-9,14,16,24H,10-13H2,(H2,23,25,26)
Synonyms:	N-piperidine Ibrutinib
Definition date:	2025-01-29
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	3-(4-phenoxyphenyl)-1-piperidin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

A1EPQ

A1EPQ
Name:	10',11'-difluoro-12'-methoxyvinblastine
Formula:	C47 H58 F2 N4 O10
SMILES:	CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(F)c(F)c(OC)c34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1
InChi:	InChI=1S/C47H58F2N4O10/c1-9-43(57)21-26-22-46(41(55)61-7,37-27(12-16-52(23-26)24-43)34-31(50-37)19-30(48)35(49)36(34)60-6)29-18-28-32(20-33(29)59-5)51(4)39-45(28)14-17-53-15-11-13-44(10-2,38(45)53)40(63-25(3)54)47(39,58)42(56)62-8/h11,13,18-20,26,38-40,50,57-58H,9-10,12,14-17,21-24H2,1-8H3/t26-,38-,39+,40+,43-,44+,45+,46-,47-/m0/s1
Definition date:	2025-04-24
Last modified:	2025-05-02
Release date:	2025-05-07

A1EPR

A1EPR
Name:	10'-fluorovinblastine
Formula:	C46 H57 F N4 O9
SMILES:	CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(F)ccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1
InChi:	InChI=1S/C46H57FN4O9/c1-8-42(55)22-27-23-45(40(53)58-6,36-30(13-17-50(24-27)25-42)29-12-11-28(47)19-33(29)48-36)32-20-31-34(21-35(32)57-5)49(4)38-44(31)15-18-51-16-10-14-43(9-2,37(44)51)39(60-26(3)52)46(38,56)41(54)59-7/h10-12,14,19-21,27,37-39,48,55-56H,8-9,13,15-18,22-25H2,1-7H3/t27-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
Definition date:	2025-04-24
Last modified:	2025-05-02
Release date:	2025-05-07

A1EPS

A1EPS
Name:	10'-bromovinblastine
Formula:	C46 H57 Br N4 O9
SMILES:	CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(Br)ccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1
InChi:	InChI=1S/C46H57BrN4O9/c1-8-42(55)22-27-23-45(40(53)58-6,36-30(13-17-50(24-27)25-42)29-12-11-28(47)19-33(29)48-36)32-20-31-34(21-35(32)57-5)49(4)38-44(31)15-18-51-16-10-14-43(9-2,37(44)51)39(60-26(3)52)46(38,56)41(54)59-7/h10-12,14,19-21,27,37-39,48,55-56H,8-9,13,15-18,22-25H2,1-7H3/t27-,37-,38+,39+,42+,43+,44+,45-,46-/m0/s1
Definition date:	2025-04-24
Last modified:	2025-05-02
Release date:	2025-05-07

A1EPT

A1EPT
Name:	10'-methoxyvinblastine
Formula:	C47 H60 N4 O10
SMILES:	CC[C]1(O)C[CH]2C[N](CCc3c([nH]c4cc(OC)ccc34)[C](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH]89)C(=O)OC)C1
InChi:	InChI=1S/C47H60N4O10/c1-9-43(55)23-28-24-46(41(53)59-7,37-31(14-18-50(25-28)26-43)30-13-12-29(57-5)20-34(30)48-37)33-21-32-35(22-36(33)58-6)49(4)39-45(32)16-19-51-17-11-15-44(10-2,38(45)51)40(61-27(3)52)47(39,56)42(54)60-8/h11-13,15,20-22,28,38-40,48,55-56H,9-10,14,16-19,23-26H2,1-8H3/t28-,38-,39+,40+,43-,44+,45+,46-,47-/m0/s1
Definition date:	2025-04-24
Last modified:	2025-05-02
Release date:	2025-05-07

A1IFQ

A1IFQ
Name:	(7~{S})-1-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)amino]-6,6-dimethyl-7-oxidanyl-7,8-dihydrobenzo[cd]indole-3-carboxylic acid
Formula:	C26 H24 N2 O5
SMILES:	CC1(C)[CH](O)Cc2n(c3ccc(O)cc3)c(Nc4ccc(O)cc4)c5c(ccc1c25)C(O)=O
InChi:	InChI=1S/C26H24N2O5/c1-26(2)19-12-11-18(25(32)33)22-23(19)20(13-21(26)31)28(15-5-9-17(30)10-6-15)24(22)27-14-3-7-16(29)8-4-14/h3-12,21,27,29-31H,13H2,1-2H3,(H,32,33)/t21-/m0/s1
Definition date:	2024-06-25
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	(7~{S})-1-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)amino]-6,6-dimethyl-7-oxidanyl-7,8-dihydrobenzo[cd]indole-3-carboxylic acid

A1IGV

A1IGV
Name:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C29 H46 O3
SMILES:	C[CH](CC(=C)CCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C
InChi:	InChI=1S/C29H46O3/c1-19(13-15-28(4,5)32)16-20(2)25-11-12-26-22(8-7-14-29(25,26)6)9-10-23-17-24(30)18-27(31)21(23)3/h9-10,20,24-27,30-32H,1,3,7-8,11-18H2,2,4-6H3/b22-9+,23-10-/t20-,24+,25-,26+,27+,29-/m1/s1
Definition date:	2024-07-02
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{S})-7-methyl-4-methylidene-7-oxidanyl-octan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

A1IL3

A1IL3
Name:	5-(2-propoxyphenyl)-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Formula:	C13 H13 N5 O2
SMILES:	CCCOc1ccccc1C2=NC(=O)c3nn[nH]c3N2
InChi:	InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
Definition date:	2024-08-20
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	5-(2-propoxyphenyl)-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

A1IMZ

A1IMZ
Name:	Mitoglitazone (R-form)
Formula:	C19 H18 N2 O4 S
SMILES:	CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2
InChi:	InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m1/s1
Synonyms:	(5R)-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxidanylidene-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Definition date:	2024-08-28
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	(5~{R})-5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxidanylidene-ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

A1IOR

A1IOR
Name:	~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide
Formula:	C16 H26 N4 O3
SMILES:	CC(C)C[CH](O)C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2
InChi:	InChI=1S/C16H26N4O3/c1-11(2)8-13(21)15(23)18-10-16(5-3-6-16)9-17-14(22)12-4-7-19-20-12/h4,7,11,13,21H,3,5-6,8-10H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)/t13-/m0/s1
Definition date:	2024-09-16
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide

TAZ

TAZ
Name:	TAZOBACTAM
Formula:	C10 H12 N4 O5 S
SMILES:	O=S1(=O)C2CC(=O)N2C(C(=O)O)C1(C)Cn1ccnn1
InChi:	InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
Definition date:	2000-11-21
Last modified:	2025-04-30
Identifier:	(1S,2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

HBA

HBA
Name:	P-HYDROXYBENZALDEHYDE
Formula:	C7 H6 O2
SMILES:	O=Cc1ccc(O)cc1
InChi:	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
Definition date:	1999-07-08
Last modified:	2025-04-30
Identifier:	4-hydroxybenzaldehyde

2KA

2KA
Name:	2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Formula:	C7 H6 N4 O3
SMILES:	O=C(O)c1cnc2N=C(N)NC(=O)c12
InChi:	InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
Definition date:	2013-11-14
Last modified:	2025-04-29
Release date:	2013-12-25
Identifier:	2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

A1A0A

A1A0A
Name:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Formula:	C18 H19 F4 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1
InChi:	InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine

A1A0B

A1A0B
Name:	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine
Formula:	C14 H15 F2 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cc(F)c1F
InChi:	InChI=1S/C14H15F2N3/c1-8-3-12(19-13(17)4-8)10-5-9(7-18-2)6-11(15)14(10)16/h3-6,18H,7H2,1-2H3,(H2,17,19)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine

A1A0E

A1A0E
Name:	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine
Formula:	C13 H16 N4
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cnc1
InChi:	InChI=1S/C13H16N4/c1-9-3-12(17-13(14)4-9)11-5-10(6-15-2)7-16-8-11/h3-5,7-8,15H,6H2,1-2H3,(H2,14,17)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine

A1A0F

A1A0F
Name:	(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine
Formula:	C15 H16 F3 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cc(c1)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine

A1A3F

A1A3F
Name:	(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile
Formula:	C15 H16 N4
SMILES:	Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1
InChi:	InChI=1S/C15H16N4/c1-10-3-14(19-15(17)4-10)13-6-11(8-16)5-12(7-13)9-18-2/h3-7,18H,9H2,1-2H3,(H2,17,19)
Definition date:	2024-08-23
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile

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