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PDB Info pages Status search Chemie search: 43993 results BIRD

G56

G56
Name:	(2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid
Formula:	C18 H16 F3 N O5
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)COc2ccc(OC(F)(F)F)cc2
InChi:	InChI=1S/C18H16F3NO5/c19-18(20,21)27-14-8-6-13(7-9-14)26-11-16(23)22-15(17(24)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1
Definition date:	2020-07-22
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2~{S})-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid

GKX

GKX
Name:	(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
Formula:	C20 H29 N O3
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2CCCCC2
InChi:	InChI=1S/C20H29NO3/c22-19(14-8-7-11-16-9-3-1-4-10-16)21-18(20(23)24)15-17-12-5-2-6-13-17/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,21,22)(H,23,24)/t18-/m0/s1
Definition date:	2020-09-04
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid

J06

J06
Name:	[(3S,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,39S,43S)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate
Formula:	C60 H107 O4 P
SMILES:	CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](C)CCO[P](O)(O)=O
InChi:	InChI=1S/C60H107O4P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-64-65(61,62)63/h31,33,35,37,39,41,43,45,49-51,60H,14-30,32,34,36,38,40,42,44,46-48H2,1-13H3,(H2,61,62,63)/b52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t50-,51-,60-/m0/s1
Definition date:	2021-03-09
Last modified:	2021-09-03
Release date:	2021-09-08
Identifier:	[(3~{S},6~{Z},10~{Z},14~{Z},18~{Z},22~{Z},26~{Z},30~{Z},34~{Z},39~{S},43~{S})-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34-octaenyl] dihydrogen phosphate

MRQ

MRQ
Name:	(14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide
Formula:	C30 H38 N8 O5 S
SMILES:	NC(=N)NCCC[CH]1NC(=O)Cc2cccn2C(=O)CN(Cc3occc3)Cc4ccccc4CSC[CH](NC1=O)C(N)=O
InChi:	InChI=1S/C30H38N8O5S/c31-28(41)25-19-44-18-21-7-2-1-6-20(21)15-37(16-23-9-5-13-43-23)17-27(40)38-12-4-8-22(38)14-26(39)35-24(29(42)36-25)10-3-11-34-30(32)33/h1-2,4-9,12-13,24-25H,3,10-11,14-19H2,(H2,31,41)(H,35,39)(H,36,42)(H4,32,33,34)/t24-,25-/m0/s1
Synonyms:	macrocycle N14-PR4-A
Definition date:	2019-10-22
Last modified:	2021-08-28
Release date:	2020-09-30
Identifier:	(14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide

ODB

ODB
Name:	(10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
Formula:	C33 H46 N8 O5 S
SMILES:	NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1=O)C(N)=O
InChi:	InChI=1S/C33H46N8O5S/c34-31(45)28-21-47-20-25-10-4-2-8-23(25)17-40(16-22-7-1-3-9-24(22)19-42)18-30(44)41-14-6-11-26(41)15-29(43)38-27(32(46)39-28)12-5-13-37-33(35)36/h1-4,7-10,26-28,42H,5-6,11-21H2,(H2,34,45)(H,38,43)(H,39,46)(H4,35,36,37)/t26-,27-,28-/m0/s1
Synonyms:	P2 macrocycle
Definition date:	2020-02-27
Last modified:	2021-08-28
Release date:	2020-03-18
Identifier:	(10~{S},14~{S},17~{R})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide

UXW

UXW
Name:	4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C32 H42 N8 O
SMILES:	CC1(C)CCN(CC1)Cc2ccc(cn2)N3CC(=O)NC4(CCN(CC4)c5cc(NCc6ccccc6)ncn5)C3
InChi:	InChI=1S/C32H42N8O/c1-31(2)10-14-38(15-11-31)21-26-8-9-27(20-33-26)40-22-30(41)37-32(23-40)12-16-39(17-13-32)29-18-28(35-24-36-29)34-19-25-6-4-3-5-7-25/h3-9,18,20,24H,10-17,19,21-23H2,1-2H3,(H,37,41)(H,34,35,36)
Definition date:	2021-03-26
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one

Z2V

Z2V
Name:	N-[(1R,3S,4R,5S)-3-{(1R)-2-[(2R,4r,6S)-2,6-dihydroxypiperidin-4-yl]-1-hydroxyethyl}-4-hydroxy-1,5-dimethylcyclohexyl]benzamide
Formula:	C22 H28 N2 O5
SMILES:	O=C1CC(CC(O)C2CC(C)(NC(=O)c3ccccc3)CC(C)C2=O)CC(=O)N1
InChi:	InChI=1S/C22H28N2O5/c1-13-11-22(2,24-21(29)15-6-4-3-5-7-15)12-16(20(13)28)17(25)8-14-9-18(26)23-19(27)10-14/h3-7,13-14,16-17,25H,8-12H2,1-2H3,(H,24,29)(H,23,26,27)/t13-,16-,17+,22+/m0/s1
Definition date:	2021-04-07
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	N-{(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl}benzamide

UYN

UYN
Name:	[[(2E)-2-[1-[3-[(E)-N-[[azaniumylidene(azanyl)methyl]amino]-C-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium
Formula:	C12 H21 N9
SMILES:	CC(=NNC(N)=[NH2+])c1cc(N)cc(c1)C(C)=NNC(N)=[NH2+]
InChi:	InChI=1S/C12H19N9/c1-6(18-20-11(14)15)8-3-9(5-10(13)4-8)7(2)19-21-12(16)17/h3-5H,13H2,1-2H3,(H4,14,15,20)(H4,16,17,21)/p+2/b18-6+,19-7+
Synonyms:	BEV241
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	[[(2~{E})-2-[1-[3-[(~{E})-~{N}-[[azaniumylidene(azanyl)methyl]amino]-~{C}-methyl-carbonimidoyl]-5-azanyl-phenyl]ethylidene]hydrazinyl]-azanyl-methylidene]azanium

UYQ

UYQ
Name:	[[(2E)-2-[[4-[(E)-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium
Formula:	C10 H16 N8
SMILES:	NC(=[NH2+])NN=Cc1ccc(cc1)C=NNC(N)=[NH2+]
InChi:	InChI=1S/C10H14N8/c11-9(12)17-15-5-7-1-2-8(4-3-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/p+2/b15-5+,16-6+
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	[[(2~{E})-2-[[4-[(~{E})-[[azaniumylidene(azanyl)methyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]-azanyl-methylidene]azanium

UYT

UYT
Name:	[azanyl-[(2E)-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium
Formula:	C9 H13 N4
SMILES:	CC(=NNC(N)=[NH2+])c1ccccc1
InChi:	InChI=1S/C9H12N4/c1-7(12-13-9(10)11)8-5-3-2-4-6-8/h2-6H,1H3,(H4,10,11,13)/p+1/b12-7+
Synonyms:	Diaminomethylidene-[(Z)-1-phenylethylideneamino]azanium
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	[azanyl-[(2~{E})-2-(1-phenylethylidene)hydrazinyl]methylidene]azanium

UYW

UYW
Name:	[azanyl-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium
Formula:	C15 H16 Cl N4 O
SMILES:	NC(=[NH2+])NN=Cc1ccccc1OCc2ccc(Cl)cc2
InChi:	InChI=1S/C15H15ClN4O/c16-13-7-5-11(6-8-13)10-21-14-4-2-1-3-12(14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/p+1/b19-9+
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	[azanyl-[(2~{E})-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]methylidene]azanium

ZP6

ZP6
Name:	(2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
Formula:	C22 H24 N2 O5
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3
InChi:	InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1
Definition date:	2020-08-07
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid

UZ5

UZ5
Name:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C27 H37 F2 N7 O
SMILES:	CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4cc(F)c(CN5CCC(C)(C)CC5)cc4F
InChi:	InChI=1S/C27H37F2N7O/c1-26(2)4-8-34(9-5-26)15-19-12-21(29)22(13-20(19)28)36-16-25(37)33-27(17-36)6-10-35(11-7-27)24-14-23(30-3)31-18-32-24/h12-14,18H,4-11,15-17H2,1-3H3,(H,33,37)(H,30,31,32)
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2,5-bis(fluoranyl)phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one

UZE

UZE
Name:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C27 H38 F N7 O
SMILES:	CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4F
InChi:	InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-22(21(28)14-20)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31)
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one

UZH

UZH
Name:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
Formula:	C27 H38 F N7 O
SMILES:	CNc1cc(ncn1)N2CCC3(CC2)CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)c(F)c4
InChi:	InChI=1S/C27H38FN7O/c1-26(2)6-10-33(11-7-26)16-20-4-5-21(14-22(20)28)35-17-25(36)32-27(18-35)8-12-34(13-9-27)24-15-23(29-3)30-19-31-24/h4-5,14-15,19H,6-13,16-18H2,1-3H3,(H,32,36)(H,29,30,31)
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-3-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one

0HJ

0HJ
Name:	6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Formula:	C62 H118 O13
SMILES:	CCCCCCC1CC1CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChi:	InChI=1S/C62H118O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-39-43-50(60(71)72-47-53-55(66)57(68)59(70)62(74-53)75-61-58(69)56(67)54(65)52(46-63)73-61)51(64)44-40-36-33-30-27-24-21-18-19-22-25-28-31-34-38-42-49-45-48(49)41-37-8-6-4-2/h48-59,61-70H,3-47H2,1-2H3/t48-,49-,50+,51+,52-,53-,54-,55-,56+,57+,58-,59-,61-,62-/m1/s1
Definition date:	2021-06-09
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside

ZRY

ZRY
Name:	(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
Formula:	C14 H12 N4
SMILES:	N=C1N/C(=NNc2ccccc2)c2ccccc12
InChi:	InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)14(16-13)18-17-10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine

ZS1

ZS1
Name:	(1Z)-1-imino-1H-isoindol-3-amine
Formula:	C8 H7 N3
SMILES:	N=C1N=C(N)c2ccccc12
InChi:	InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1Z)-1-imino-1H-isoindol-3-amine

ZS7

ZS7
Name:	3-amino-1H-isoindol-1-one
Formula:	C8 H6 N2 O
SMILES:	NC1=NC(=O)c2ccccc12
InChi:	InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	3-amino-1H-isoindol-1-one

ZSA

ZSA
Name:	(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
Formula:	C9 H10 N6
SMILES:	N=C(N)NN=C1/N=C(N)c2ccccc21
InChi:	InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide

ZSD

ZSD
Name:	6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
Formula:	C18 H24 N8 O
SMILES:	CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1
InChi:	InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine

ZSG

ZSG
Name:	(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
Formula:	C15 H22 N8 O
SMILES:	CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
InChi:	InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

ZSJ

ZSJ
Name:	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
Formula:	C10 H15 N O S
SMILES:	CSc1ccc(CNCCO)cc1
InChi:	InChI=1S/C10H15NOS/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol

ZSM

ZSM
Name:	(1,4-phenylene)bis(methylene) dicarbamimidothioate
Formula:	C10 H14 N4 S2
SMILES:	N=C(N)SCc1ccc(CSC(=N)N)cc1
InChi:	InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1,4-phenylene)bis(methylene) dicarbamimidothioate

ZSS

ZSS
Name:	(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate
Formula:	C9 H11 Cl N2 S
SMILES:	Clc1ccc(cc1)C(C)SC(=N)N
InChi:	InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate

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