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PDB Info pages Status search Chemie search: 44311 results BIRD

SQE

SQE
Name:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C25 H23 Cl F2 N6 O3
SMILES:	CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5cccc(n5)C(F)F
InChi:	InChI=1S/C25H23ClF2N6O3/c1-30-25-31-9-14-7-17(24(35)34(23(14)33-25)10-21-36-11-15(29)12-37-21)16-6-5-13(8-18(16)26)19-3-2-4-20(32-19)22(27)28/h2-9,15,21-22H,10-12,29H2,1H3,(H,30,31,33)/t15-,21-
Definition date:	2020-11-30
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

SQK

SQK
Name:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C25 H24 Cl F N6 O3
SMILES:	CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5F
InChi:	InChI=1S/C25H24ClFN6O3/c1-13-3-6-20(27)22(31-13)14-4-5-17(19(26)8-14)18-7-15-9-30-25(29-2)32-23(15)33(24(18)34)10-21-35-11-16(28)12-36-21/h3-9,16,21H,10-12,28H2,1-2H3,(H,29,30,32)/t16-,21-
Definition date:	2020-11-30
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

SQQ

SQQ
Name:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one
Formula:	C31 H29 Cl N6 O4
SMILES:	COc1ccccc1Nc2ncc3C=C(C(=O)N(C[CH]4OC[CH](N)CO4)c3n2)c5ccc(cc5Cl)c6cccc(C)n6
InChi:	InChI=1S/C31H29ClN6O4/c1-18-6-5-8-25(35-18)19-10-11-22(24(32)13-19)23-12-20-14-34-31(36-26-7-3-4-9-27(26)40-2)37-29(20)38(30(23)39)15-28-41-16-21(33)17-42-28/h3-14,21,28H,15-17,33H2,1-2H3,(H,34,36,37)/t21-,28-
Definition date:	2020-11-30
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one

SZW

SZW
Name:	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
Formula:	C19 H21 Cl N6
SMILES:	CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23
InChi:	InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
Definition date:	2020-12-08
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile

RY8

RY8
Name:	N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
Formula:	C19 H19 N3 O3 S2
SMILES:	Cc1scc(n1)c2ccc(cc2)C(=O)Nc3cc(cc(C)c3C)[S](N)(=O)=O
InChi:	InChI=1S/C19H19N3O3S2/c1-11-8-16(27(20,24)25)9-17(12(11)2)22-19(23)15-6-4-14(5-7-15)18-10-26-13(3)21-18/h4-10H,1-3H3,(H,22,23)(H2,20,24,25)
Definition date:	2020-11-02
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	~{N}-(2,3-dimethyl-5-sulfamoyl-phenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

RYE

RYE
Name:	hydrolyzed ceftazidime
Formula:	C22 H25 N6 O8 S2
SMILES:	CC(C)(ON=C(C(=O)N[CH]([CH]1NC(=C(CS1)C[n+]2ccccc2)C(O)=O)C(O)=O)c3csc(N)n3)C(O)=O
InChi:	InChI=1S/C22H24N6O8S2/c1-22(2,20(34)35)36-27-14(12-10-38-21(23)24-12)16(29)25-15(19(32)33)17-26-13(18(30)31)11(9-37-17)8-28-6-4-3-5-7-28/h3-7,10,15,17,26H,8-9H2,1-2H3,(H5-,23,24,25,29,30,31,32,33,34,35)/p+1/b27-14-/t15-,17+/m0/s1
Synonyms:	(2R)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Definition date:	2020-11-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

S5M

S5M
Name:	4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
Formula:	C24 H24 N4 O
SMILES:	CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3ncnc4[nH]ccc34
InChi:	InChI=1S/C24H24N4O/c1-24(2,3)19-10-8-18(9-11-19)23(29)26-14-16-4-6-17(7-5-16)21-20-12-13-25-22(20)28-15-27-21/h4-13,15H,14H2,1-3H3,(H,26,29)(H,25,27,28)
Definition date:	2020-03-04
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide

U8G

U8G
Name:	(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium
Formula:	C14 H23 N3 O4 Rh
SMILES:	c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C)(C)C)=O
InChi:	InChI=1S/C14H23N3O4.Rh/c1-14(2,3)21-13(19)15-11(12(18)20-6)7-10-8-16(4)9-17(10)5
Definition date:	2020-05-04
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(5-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-1H-imidazol-3-ium-2-yl)rhodium

O78

O78
Name:	(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid
Formula:	C7 H9 N O2
SMILES:	C1CC(=N)C=C(C1)C(=O)O
InChi:	InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-
Definition date:	2019-12-11
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid

VUG

VUG
Name:	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine
Formula:	C22 H29 N3
SMILES:	c4cc(N1CCN(CC1)C3CCC(c2cccc(C)c2)CC3)cnc4
InChi:	InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine

X4P

X4P
Name:	2-chloropyridine-4-carboxamide
Formula:	C6 H5 Cl N2 O
SMILES:	C(N)(c1cc(Cl)ncc1)=O
InChi:	InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-chloropyridine-4-carboxamide

VUJ

VUJ
Name:	5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one
Formula:	C23 H29 N3 O
SMILES:	C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O
InChi:	InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one

VUM

VUM
Name:	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
Formula:	C23 H28 F3 N3 O2
SMILES:	C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O
InChi:	InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22-
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one

X4V

X4V
Name:	N~4~,N~4~-dimethylpyridine-2,4-diamine
Formula:	C7 H11 N3
SMILES:	CN(C)c1ccnc(c1)N
InChi:	InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N~4~,N~4~-dimethylpyridine-2,4-diamine

X4Y

X4Y
Name:	(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine
Formula:	C9 H18 N2 O
SMILES:	C2C(C1CC(N)ON1)CCCC2
InChi:	InChI=1S/C9H18N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h7-9,11H,1-6,10H2/t8-,9+/m0/s1
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine

VGY

VGY
Name:	2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Formula:	C24 H22 Cl F N4 O
SMILES:	n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3
InChi:	InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
Definition date:	2020-08-12
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol

WCS

WCS
Name:	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
Formula:	C22 H30 N6 O3 S
SMILES:	c1(ccc(cc1)OCCCN(C)C)c2nc(S(C)(=O)=O)nc(c2)NCCCn3cccn3
InChi:	InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)
Definition date:	2020-10-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine

WCV

WCV
Name:	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
Formula:	C20 H21 N5 O
SMILES:	c1nc(NCC#C)nc(c1)Nc2cc3c(cc2)CCCN3C(C4CC4)=O
InChi:	InChI=1S/C20H21N5O/c1-2-10-21-20-22-11-9-18(24-20)23-16-8-7-14-4-3-12-25(17(14)13-16)19(26)15-5-6-15/h1,7-9,11,13,15H,3-6,10,12H2,(H2,21,22,23,24)
Definition date:	2020-10-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone

VYM

VYM
Name:	(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
Formula:	C13 H16 N2 O
SMILES:	C(C1CC1)(=O)N3CCCc2ccc(cc23)N
InChi:	InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
Definition date:	2020-09-22
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone

X1Y

X1Y
Name:	(2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol
Formula:	C10 H20 N2 O2
SMILES:	N1(C(O)NC(O)CC1)C2CCCCC2
InChi:	InChI=1S/C10H20N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h8-11,13-14H,1-7H2/t9-,10-/m1/s1
Definition date:	2020-11-23
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	(2R,4R)-1-cyclohexylhexahydropyrimidine-2,4-diol

KXK

KXK
Name:	~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C24 H31 N3 O5 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4
InChi:	InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29)
Definition date:	2019-07-03
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L25

L25
Name:	~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C22 H27 N3 O6 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4
InChi:	InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27)
Definition date:	2019-07-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L2N

L2N
Name:	~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C23 H30 N4 O5 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCN(C)CC4
InChi:	InChI=1S/C23H30N4O5S/c1-15-21-17(6-4-5-7-19(21)28)22(24-15)23(29)25-18-14-16(8-9-20(18)32-3)33(30,31)27-12-10-26(2)11-13-27/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29)
Definition date:	2019-07-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L2W

L2W
Name:	~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C23 H29 N3 O5 S
SMILES:	COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCC4
InChi:	InChI=1S/C23H29N3O5S/c1-15-21-17(8-4-5-9-19(21)27)22(24-15)23(28)25-18-14-16(10-11-20(18)31-2)32(29,30)26-12-6-3-7-13-26/h10-11,14,24H,3-9,12-13H2,1-2H3,(H,25,28)
Definition date:	2019-07-17
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

L45

L45
Name:	~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:	C21 H27 N3 O5 S
SMILES:	CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1
InChi:	InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(28,29)14-10-11-17(25)16(12-14)23-21(27)20-15-8-6-7-9-18(26)19(15)13(3)22-20/h10-12,22,25H,4-9H2,1-3H3,(H,23,27)
Definition date:	2019-07-19
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide

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