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PDB Info pages Status search Chemie search: 35611 results BIRD

L2J

L2J
Name:	N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
Formula:	C25 H23 F3 N2 O5 S
SMILES:	c3cc2N(c1ccccc1Oc2cc3)C4CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O
InChi:	InChI=1S/C25H23F3N2O5S/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2/t18-,21+,24+/m1/s1
Definition date:	2019-01-31
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide

JTQ

JTQ
Name:	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine
Formula:	C13 H10 Cl2 N4
SMILES:	Cn1cc(c2ccc(Cl)c(Cl)c12)c3cncnc3N
InChi:	InChI=1S/C13H10Cl2N4/c1-19-5-9(8-4-17-6-18-13(8)16)7-2-3-10(14)11(15)12(7)19/h2-6H,1H3,(H2,16,17,18)
Definition date:	2019-03-27
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine

N7A

N7A
Name:	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C11 H17 N3 O4 S
SMILES:	c1cc(S(=O)(=O)N)ccc1NC(=O)NCCCCO
InChi:	InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-9(4-6-10)14-11(16)13-7-1-2-8-15/h3-6,15H,1-2,7-8H2,(H2,12,17,18)(H2,13,14,16)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide

N7D

N7D
Name:	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C11 H17 N3 O4 S
SMILES:	OCCCCNC(Nc1cc(ccc1)S(=O)(=O)N)=O
InChi:	InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-4-9(8-10)14-11(16)13-6-1-2-7-15/h3-5,8,15H,1-2,6-7H2,(H2,12,17,18)(H2,13,14,16)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide

N7J

N7J
Name:	(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
Formula:	C7 H7 N3 O4 S
SMILES:	c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N
InChi:	InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

N7M

N7M
Name:	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C9 H13 N3 O4 S
SMILES:	c1cc(S(=O)(=O)N)ccc1NC(=O)NCCO
InChi:	InChI=1S/C9H13N3O4S/c10-17(15,16)8-3-1-7(2-4-8)12-9(14)11-5-6-13/h1-4,13H,5-6H2,(H2,10,15,16)(H2,11,12,14)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide

N7S

N7S
Name:	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C11 H17 N3 O5 S
SMILES:	c1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O
InChi:	InChI=1S/C11H17N3O5S/c12-20(18,19)8-3-4-10(16)9(7-8)14-11(17)13-5-1-2-6-15/h3-4,7,15-16H,1-2,5-6H2,(H2,12,18,19)(H2,13,14,17)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide

N7V

N7V
Name:	3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
Formula:	C15 H13 N3 O6 S
SMILES:	c12c(ccc(c1)S(=O)(=O)N)OC(N2C(c3ccc(cc3)[N+]([O-])=O)C)=O
InChi:	InChI=1S/C15H13N3O6S/c1-9(10-2-4-11(5-3-10)18(20)21)17-13-8-12(25(16,22)23)6-7-14(13)24-15(17)19/h2-9H,1H3,(H2,16,22,23)/t9-/m0/s1
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

N84

N84
Name:	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide
Formula:	C13 H14 N4 O4 S
SMILES:	c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O
InChi:	InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide

N8A

N8A
Name:	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide
Formula:	C14 H16 N4 O4 S
SMILES:	c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O
InChi:	InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20)
Definition date:	2019-05-06
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide

O6Y

O6Y
Name:	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
Formula:	C20 H20 N2 O3
SMILES:	c2(Oc1cc(C)c(cc1)C#N)ccc(cc2)CC(=O)N3CCOCC3
InChi:	InChI=1S/C20H20N2O3/c1-15-12-19(7-4-17(15)14-21)25-18-5-2-16(3-6-18)13-20(23)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3
Definition date:	2019-06-14
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile

O8Y

O8Y
Name:	hexanal
Formula:	C6 H12 O
SMILES:	C(CC=O)CCC
InChi:	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
Definition date:	2019-06-18
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	hexanal

OAJ

OAJ
Name:	(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
Formula:	C21 H20 N2 O5
SMILES:	OC(C1COCCN1C(Cc2ccc(cc2)Oc3cc(C)c(cc3)C#N)=O)=O
InChi:	InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m1/s1
Definition date:	2019-06-19
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid

OAV

OAV
Name:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
Formula:	C23 H24 N4 O2
SMILES:	c3(cc(Oc2ccc(CC(N(CC)CCn1cccn1)=O)cc2)ccc3C#N)C
InChi:	InChI=1S/C23H24N4O2/c1-3-26(13-14-27-12-4-11-25-27)23(28)16-19-5-8-21(9-6-19)29-22-10-7-20(17-24)18(2)15-22/h4-12,15H,3,13-14,16H2,1-2H3
Definition date:	2019-06-19
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

OJH

OJH
Name:	~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
Formula:	C20 H25 Br N4 O5 S
SMILES:	C[CH]1CCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)N[C](C)(C4CC4)C3=O)ccc2Br
InChi:	InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20+/m0/s1
Definition date:	2020-03-16
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide

OMJ

OMJ
Name:	(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid
Formula:	C21 H20 N2 O5
SMILES:	O=C(C1COCCN1C(=O)Cc3ccc(Oc2cc(C)c(cc2)C#N)cc3)O
InChi:	InChI=1S/C21H20N2O5/c1-14-10-18(7-4-16(14)12-22)28-17-5-2-15(3-6-17)11-20(24)23-8-9-27-13-19(23)21(25)26/h2-7,10,19H,8-9,11,13H2,1H3,(H,25,26)/t19-/m0/s1
Definition date:	2019-06-28
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid

ONQ

ONQ
Name:	~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
Formula:	C10 H12 N2 O3
SMILES:	COc1ccc(cc1)C(=O)NCC(N)=O
InChi:	InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
Definition date:	2020-03-23
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

ONY

ONY
Name:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
Formula:	C22 H22 N4 O3
SMILES:	CN(CCc1noc(n1)C)C(=O)Cc2ccc(cc2)Oc3cc(c(cc3)C#N)C
InChi:	InChI=1S/C22H22N4O3/c1-15-12-20(9-6-18(15)14-23)28-19-7-4-17(5-8-19)13-22(27)26(3)11-10-21-24-16(2)29-25-21/h4-9,12H,10-11,13H2,1-3H3
Definition date:	2019-07-01
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

PK8

PK8
Name:	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
Formula:	C5 H4 N O S Zn
SMILES:	O1[Zn]Sc2cccc[n+]12
InChi:	InChI=1S/C5H5NOS.Zn/c7-6-4-2-1-3-5(6)8
Definition date:	2020-04-24
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene

PQH

PQH
Name:	2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid
Formula:	C7 H6 F3 N O2
SMILES:	Cc1[nH]c(cc1C(O)=O)C(F)(F)F
InChi:	InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
Definition date:	2020-04-27
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid

PQK

PQK
Name:	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
Formula:	C10 H13 N O2
SMILES:	Cc1cc(C(O)=O)c(C)n1C2CC2
InChi:	InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
Definition date:	2020-04-27
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid

PQZ

PQZ
Name:	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
Formula:	C11 H15 N O2
SMILES:	Cc1cc(C(O)=O)c(C)n1CC2CC2
InChi:	InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
Definition date:	2020-04-27
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Q0P

Q0P
Name:	(2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid
Formula:	C18 H20 N3 O8 P
SMILES:	C(/c1c(c(C)ncc1COP(O)(O)=O)O)=NC(CC(c2ccccc2N)=O)C(O)=O
InChi:	InChI=1S/C18H20N3O8P/c1-10-17(23)13(11(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)6-16(22)12-4-2-3-5-14(12)19/h2-5,7-8,15,23H,6,9,19H2,1H3,(H,24,25)(H2,26,27,28)/b21-8+/t15-/m0/s1
Definition date:	2019-09-03
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	(2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid

QFY

QFY
Name:	{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
Formula:	C24 H32 Fe N6 O2 S
SMILES:	C12NC(=O)NC1CSC2CCCCC(NCC[N+]43Cc6[n+]([Fe]3[n+]5c(C4)cccc5)cccc6)=O
InChi:	InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19
Definition date:	2019-10-25
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)

QG1

QG1
Name:	{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+)
Formula:	C24 H32 Fe N6 O2 S
SMILES:	C12NC(=O)NC1CSC2CCCCC(NCC[N+]5(Cc3ncccc3)Cc4cccc[n+]4[Fe]5)=O
InChi:	InChI=1S/C24H32N6O2S.Fe/c31-22(10-2-1-9-21-23-20(17-33-21)28-24(32)29-23)27-13-14-30(15-18-7-3-5-11-25-18)16-19-8-4-6-12-26-19
Definition date:	2019-10-25
Last modified:	2020-05-01
Release date:	2020-05-06
Identifier:	{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+)

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