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PDB Info pages Status search Chemie search: 43993 results BIRD

YJT

YJT
Name:	6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one
Formula:	C14 H12 F2 N2 O5 Ru2
SMILES:	O[Ru]12OC(=O)O[Ru]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4
InChi:	InChI=1S/C13H10F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13
Definition date:	2023-06-19
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one

K9E

K9E
Name:	[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C12 H19 N2 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1O
InChi:	InChI=1S/C12H19N2O8P/c1-8-11(18)10(3-14-12(5-15,6-16)7-17)9(2-13-8)4-22-23(19,20)21/h2-3,15-18H,4-7H2,1H3,(H2,19,20,21)/b14-3+
Definition date:	2022-09-13
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[4-[(~{E})-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

OSR

OSR
Name:	(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C31 H35 Br N4 O4
SMILES:	CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5
InChi:	InChI=1S/C31H35BrN4O4/c1-4-20(2)29-30(38)34(18-22-11-14-26(40-3)25-8-6-5-7-24(22)25)19-27-35(16-15-28(37)36(27)29)31(39)33-17-21-9-12-23(32)13-10-21/h5-14,20,27,29H,4,15-19H2,1-3H3,(H,33,39)/t20-,27+,29-/m0/s1
Definition date:	2023-02-10
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

RTO

RTO
Name:	4-(dipropylsulfamoyl)benzoic acid
Formula:	C13 H19 N O4 S
SMILES:	CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
Definition date:	2022-12-06
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	4-(dipropylsulfamoyl)benzoic acid

IJC

IJC
Name:	2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
Formula:	C13 H11 Cl N4 O6 S
SMILES:	COc1cc(Cl)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(O)=O)n1
InChi:	InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)
Definition date:	2022-07-05
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Z1L

Z1L
Name:	1-anilinocyclopropane-1-carboxylic acid
Formula:	C10 H11 N O2
SMILES:	O=C(O)C1(Nc2ccccc2)CC1
InChi:	InChI=1S/C10H11NO2/c12-9(13)10(6-7-10)11-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-anilinocyclopropane-1-carboxylic acid

Z2F

Z2F
Name:	1,3-benzothiazole-6-sulfonamide
Formula:	C7 H6 N2 O2 S2
SMILES:	NS(=O)(=O)c1ccc2ncsc2c1
InChi:	InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1,3-benzothiazole-6-sulfonamide

Z2Z

Z2Z
Name:	8-(methanesulfonyl)quinoline
Formula:	C10 H9 N O2 S
SMILES:	CS(=O)(=O)c1cccc2cccnc12
InChi:	InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	8-(methanesulfonyl)quinoline

UJI

UJI
Name:	tetrakis(oxidanyl)antimony
Formula:	H4 O4 Sb
SMILES:	O[Sb](O)(O)O
InChi:	InChI=1S/4H2O.Sb.H/h4*1H2
Synonyms:	antimony oxyanion
Definition date:	2023-02-06
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	tetrakis(oxidanyl)antimony

Z3H

Z3H
Name:	N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide
Formula:	C10 H13 N O3 S
SMILES:	CS(=O)(=O)NC1CCOc2ccccc21
InChi:	InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide

Z3O

Z3O
Name:	(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole
Formula:	C15 H18 N2
SMILES:	CC1C=CN(CC2C=Nc3ccccc23)CC1
InChi:	InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole

Z4X

Z4X
Name:	2-ethoxy-3-fluoro-N,N-dimethylbenzamide
Formula:	C11 H14 F N O2
SMILES:	CCOc1c(cccc1F)C(=O)N(C)C
InChi:	InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-ethoxy-3-fluoro-N,N-dimethylbenzamide

Z5C

Z5C
Name:	5-(methoxymethyl)-1,2-oxazole-3-carboxamide
Formula:	C6 H8 N2 O3
SMILES:	O=C(N)c1cc(COC)on1
InChi:	InChI=1S/C6H8N2O3/c1-10-3-4-2-5(6(7)9)8-11-4/h2H,3H2,1H3,(H2,7,9)
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	5-(methoxymethyl)-1,2-oxazole-3-carboxamide

Z5Z

Z5Z
Name:	(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Formula:	C9 H15 N3 O S
SMILES:	Cc1nc(sn1)N1CC(C)OC(C)C1
InChi:	InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

Z6I

Z6I
Name:	4-(5-methyl-1H-pyrazol-4-yl)piperidine
Formula:	C9 H15 N3
SMILES:	Cc1[NH]ncc1C1CCNCC1
InChi:	InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	4-(5-methyl-1H-pyrazol-4-yl)piperidine

VUO

VUO
Name:	6-oxidanyl-1,3-benzoxathiol-2-one
Formula:	C7 H4 O3 S
SMILES:	Oc1ccc2SC(=O)Oc2c1
InChi:	InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H
Definition date:	2023-04-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	6-oxidanyl-1,3-benzoxathiol-2-one

XPW

XPW
Name:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile
Formula:	C25 H28 N6 O3
SMILES:	CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O
InChi:	InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
Synonyms:	GSK2798745
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile

XQ3

XQ3
Name:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Formula:	C28 H32 Cl2 N4 O6 S2
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1
InChi:	InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
Synonyms:	GSK1016790A
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

Z7T

Z7T
Name:	2-(cyclopentylamino)pyridine-4-carboxamide
Formula:	C11 H15 N3 O
SMILES:	NC(=O)c1ccnc(NC2CCCC2)c1
InChi:	InChI=1S/C11H15N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-(cyclopentylamino)pyridine-4-carboxamide

ZRR

ZRR
Name:	(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
Formula:	C22 H28 N10 O
SMILES:	CC(C)n1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c32)c1
InChi:	InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)
Definition date:	2023-03-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol

XQU

XQU
Name:	nitrosochloramphenicol
Formula:	C11 H14 Cl2 N2 O4
SMILES:	ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl
InChi:	InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1
Synonyms:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide

Z9I

Z9I
Name:	1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
Formula:	C6 H14 N2 O2 S
SMILES:	NCC1CCCN1S(=O)(C)=O
InChi:	InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine

ZA9

ZA9
Name:	4-[(3S)-piperidin-3-yl]-1H-indole
Formula:	C13 H16 N2
SMILES:	c1c[NH]c2cccc(c12)C1CCCNC1
InChi:	InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	4-[(3S)-piperidin-3-yl]-1H-indole

ZT7

ZT7
Name:	1-(5-amino-2H-isoindol-2-yl)ethan-1-one
Formula:	C10 H10 N2 O
SMILES:	CC(=O)n1cc2ccc(N)cc2c1
InChi:	InChI=1S/C10H10N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-6H,11H2,1H3
Definition date:	2023-07-03
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-(5-amino-2H-isoindol-2-yl)ethan-1-one

ZBH

ZBH
Name:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
Formula:	C10 H14 N2 O S
SMILES:	CNC(=O)C1CCCc2sc(C)nc21
InChi:	InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

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