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PDB Info pages Status search Chemie search: 41065 results BIRD

H8Z

H8Z
Name:	1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one
Formula:	C15 H16 N6 O
SMILES:	Nc1ncnc2n(nc(C#C)c12)[CH]3CCCN(C3)C(=O)C=C
InChi:	InChI=1S/C15H16N6O/c1-3-11-13-14(16)17-9-18-15(13)21(19-11)10-6-5-7-20(8-10)12(22)4-2/h1,4,9-10H,2,5-8H2,(H2,16,17,18)/t10-/m1/s1
Definition date:	2018-11-28
Last modified:	2024-09-27
Release date:	2019-02-27
Identifier:	1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one

H9A

H9A
Name:	propan-2-yl hydrogen (R)-ethylphosphonate
Formula:	C5 H13 O3 P
SMILES:	P(OC(C)C)(O)(=O)CC
InChi:	InChI=1S/C5H13O3P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3,(H,6,7)
Definition date:	2018-06-18
Last modified:	2024-09-27
Release date:	2018-10-03
Identifier:	propan-2-yl hydrogen (R)-ethylphosphonate

H9B

H9B
Name:	(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
Formula:	C21 H24 F3 N3 O
SMILES:	CC[CH](N)C(=O)N[C]1(CN)C[CH]1c2ccc(cc2)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C21H24F3N3O/c1-2-18(26)19(28)27-20(12-25)11-17(20)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21(22,23)24/h3-10,17-18H,2,11-12,25-26H2,1H3,(H,27,28)/t17-,18+,20+/m1/s1
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-04-24
Identifier:	(2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide

H9J

H9J
Name:	2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
Formula:	C9 H14 F3 N O6
SMILES:	C1(C(C(C(C(C1NC(C(F)(F)F)=O)O)O)CO)O)O
InChi:	InChI=1S/C9H14F3NO6/c10-9(11,12)8(19)13-3-6(17)4(15)2(1-14)5(16)7(3)18/h2-7,14-18H,1H2,(H,13,19)/t2-,3-,4-,5-,6-,7-/m1/s1
Definition date:	2018-06-18
Last modified:	2024-09-27
Release date:	2019-04-24
Identifier:	2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide

H9M

H9M
Name:	(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
Formula:	C31 H49 N5 O3 S
SMILES:	s1c(nc2c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(=O)C(CCN(C)C)C)NC(=O)CC
InChi:	InChI=1S/C31H49N5O3S/c1-7-28(37)33-25(18-29-34-24-14-13-23(20(2)3)17-27(24)40-29)31(39)35-26(22-11-9-8-10-12-22)19-32-30(38)21(4)15-16-36(5)6/h13-14,17,20-22,25-26H,7-12,15-16,18-19H2,1-6H3,(H,32,38)(H,33,37)(H,35,39)/t21-,25-,26+/m0/s1
Definition date:	2018-06-18
Last modified:	2024-09-27
Release date:	2021-06-02
Identifier:	(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide

H9P

H9P
Name:	N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Formula:	C31 H44 N6 O3 S
SMILES:	O=C(C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C3CCCCC3)CNC(C(C)Cn4cncc4)=O
InChi:	InChI=1S/C31H44N6O3S/c1-5-28(38)34-25(16-29-35-24-12-11-23(20(2)3)15-27(24)41-29)31(40)36-26(22-9-7-6-8-10-22)17-33-30(39)21(4)18-37-14-13-32-19-37/h11-15,19-22,25-26H,5-10,16-18H2,1-4H3,(H,33,39)(H,34,38)(H,36,40)/t21-,25-,26+/m0/s1
Definition date:	2018-06-18
Last modified:	2024-09-27
Release date:	2021-06-02
Identifier:	N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide

H9T

H9T
Name:	(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C7 H13 N O4
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12
InChi:	InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5-,6-,7-/m0/s1
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-10-09
Identifier:	(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol

HAE

HAE
Name:	ACETOHYDROXAMIC ACID
Formula:	C2 H5 N O2
SMILES:	O=C(NO)C
InChi:	InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-hydroxyacetamide

HAO

HAO
Name:	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
Formula:	C10 H11 N3 O5
SMILES:	O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1
InChi:	InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
Definition date:	2010-07-01
Last modified:	2024-09-27
Identifier:	{[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid

HAQ

HAQ
Name:	5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID
Formula:	C13 H14 N2 O3
SMILES:	O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O
InChi:	InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
Definition date:	1999-10-14
Last modified:	2024-09-27
Identifier:	(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

HAR

HAR
Name:	N-OMEGA-HYDROXY-L-ARGININE
Formula:	C6 H14 N4 O3
SMILES:	O=C(O)C(N)CCCNC(=[N@H])NO
InChi:	InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N~5~-(N-hydroxycarbamimidoyl)-L-ornithine

HB4

HB4
Name:	N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide
Formula:	C16 H15 N5
SMILES:	c41c(CCC1NC=N)ccc(c3c2ccnc2ncn3)c4
InChi:	InChI=1S/C16H15N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-9,14H,3-4H2,(H2,17,19)(H,18,20,21)/t14-/m0/s1
Definition date:	2018-06-21
Last modified:	2024-09-27
Release date:	2018-11-28
Identifier:	N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide

HB5

HB5
Name:	(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide
Formula:	C28 H33 N5 O3 S2
SMILES:	CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc3)[CH]4C[C]4(NC(=O)[CH](N)Cc5sccc5)C=N
InChi:	InChI=1S/C28H33N5O3S2/c1-32-12-14-33(15-13-32)38(35,36)24-10-8-21(9-11-24)20-4-6-22(7-5-20)25-18-28(25,19-29)31-27(34)26(30)17-23-3-2-16-37-23/h2-11,16,19,25-26,29H,12-15,17-18,30H2,1H3,(H,31,34)/b29-19+/t25-,26+,28+/m1/s1
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-04-24
Identifier:	(2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide

HBE

HBE
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C7 H12 O5
SMILES:	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
InChi:	InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1
Definition date:	2018-12-03
Last modified:	2024-09-27
Release date:	2019-10-09
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

HBX

HBX
Name:	benzaldehyde
Formula:	C7 H6 O
SMILES:	O=Cc1ccccc1
InChi:	InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Definition date:	2009-02-26
Last modified:	2024-09-27
Identifier:	benzaldehyde

HCI

HCI
Name:	HYDROCINNAMIC ACID
Formula:	C9 H10 O2
SMILES:	O=C(O)CCc1ccccc1
InChi:	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Synonyms:	3PP
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-phenylpropanoic acid

HCL

HCL
Name:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula:	C8 H8 Cl N O4
SMILES:	N[CH](C(O)=O)c1cc(O)cc(O)c1Cl
InChi:	InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1
Definition date:	2012-03-05
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

HCO

HCO
Name:	2-ACETYL-PROTOPORPHYRIN IX
Formula:	C34 H34 Fe N4 O5
SMILES:	O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)C(O)=C)C)C
InChi:	InChI=1S/C34H34N4O5.Fe/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26
Definition date:	2003-09-15
Last modified:	2024-09-27
Identifier:	{3,3'-[(7R,12S)-7-ethenyl-12-(1-hydroxyethenyl)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron

HCS

HCS
Name:	2-AMINO-4-MERCAPTO-BUTYRIC ACID
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(N)CCS
InChi:	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
Synonyms:	L-Homocysteine
Definition date:	2001-08-14
Last modified:	2024-09-27
Identifier:	L-homocysteine

HD0

HD0
Name:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
Formula:	C10 H12 N4 O4
SMILES:	O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
InChi:	InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1
Definition date:	2010-11-01
Last modified:	2024-09-27
Release date:	2022-06-29
Identifier:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid

HDB

HDB
Name:	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
Formula:	C11 H16 B N3 O3
SMILES:	OCC1OB(OC1)c2ccc(cc2)CNC(=[N@H])N
InChi:	InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1
Definition date:	2005-06-02
Last modified:	2024-09-27
Identifier:	1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]benzyl}guanidine

HDE

HDE
Name:	CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S
Formula:	C34 H38 Fe N4 O5
SMILES:	O=C(O)CCc9c(c4n6c9C=C8N5C(=Cc1c(c(c3n1[Fe]56n2c(c(c(c2C3)C)CC)C4)CC)C)C(O)(C)C87OC(=O)CC7)C
InChi:	InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,42)34(12-11-32(41)43-34)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23
Definition date:	2010-10-20
Last modified:	2024-09-27
Identifier:	{3-[(2R,5'S)-10',15'-diethyl-5'-hydroxy-5',9',14',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,13,15,18]octaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron

HE0

HE0
Name:	(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C17 H28 N4 O7 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC(C(=O)O)NC(=O)CN
InChi:	InChI=1S/C17H28N4O7S/c1-17(2)13(16(27)28)21-14(29-17)10(8-22)20-11(23)6-4-3-5-9(15(25)26)19-12(24)7-18/h8-10,13-14,21H,3-7,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H,27,28)/t9-,10+,13-,14+/m0/s1
Synonyms:	Penicillin analog, bound/open form
Definition date:	2012-02-28
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

HEB

HEB
Name:	HEME B/C
Formula:	C34 H34 Fe N4 O4
SMILES:	CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
InChi:	InChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Synonyms:	HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)
Definition date:	1999-07-08
Last modified:	2024-09-27

HEM

HEM
Name:	PROTOPORPHYRIN IX CONTAINING FE
Formula:	C34 H32 Fe N4 O4
SMILES:	C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)C=C)C)C=C)C)C)CCC(=O)O
InChi:	InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Synonyms:	HEME
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid

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