Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
L2Z
L2Z
Name:~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
Formula:C23 H27 N3 O6 S
SMILES:COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4
InChi:InChI=1S/C23H27N3O6S/c1-14-20-16(5-3-4-6-18(20)27)21(24-14)22(28)25-17-9-15(7-8-19(17)31-2)33(29,30)26-10-23(11-26)12-32-13-23/h7-9,24H,3-6,10-13H2,1-2H3,(H,25,28)
Definition date:2019-07-17
Last modified:2020-12-11
Release date:2020-12-16
Identifier:~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
W5S
W5S
Name:7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C13 H14 N4 O
SMILES:n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3
InChi:InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
QTA
QTA
Name:3-(phenylsulfonyl)benzene-1-sulfonamide
Formula:C12 H11 N O4 S2
SMILES:c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O)=O
InChi:InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-4-7-11(9-12)18(14,15)10-5-2-1-3-6-10/h1-9H,(H2,13,16,17)
Definition date:2019-12-18
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-(phenylsulfonyl)benzene-1-sulfonamide
W6A
W6A
Name:4-chloro-1H-indole-2-carboxylic acid
Formula:C9 H6 Cl N O2
SMILES:c2cc1c(cc(C(O)=O)n1)c(c2)Cl
InChi:InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-chloro-1H-indole-2-carboxylic acid
W6D
W6D
Name:1H-indole-4-carboxamide
Formula:C9 H8 N2 O
SMILES:c2nc1cccc(C(N)=O)c1c2
InChi:InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1H-indole-4-carboxamide
W6G
W6G
Name:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Formula:C8 H7 N3 O2 S2
SMILES:c1(ccccc1)S(Nc2scnn2)(=O)=O
InChi:InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
W6J
W6J
Name:1-(pyridin-2-yl)-1,4-diazepane
Formula:C10 H15 N3
SMILES:C2CN(c1ncccc1)CCCN2
InChi:InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1-(pyridin-2-yl)-1,4-diazepane
W6M
W6M
Name:3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
Formula:C12 H11 N3 O4
SMILES:c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2
InChi:InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
W6P
W6P
Name:1,3-dihydro-2H-indol-2-one
Formula:C8 H7 N O
SMILES:C2(=O)Cc1c(cccc1)N2
InChi:InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1,3-dihydro-2H-indol-2-one
W6S
W6S
Name:4-(1H-pyrazol-3-yl)piperidine
Formula:C8 H13 N3
SMILES:c2cc(C1CCNCC1)nn2
InChi:InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-(1H-pyrazol-3-yl)piperidine
W6V
W6V
Name:N-(1,3-thiazol-2-yl)benzamide
Formula:C10 H8 N2 O S
SMILES:c2c(C(=O)Nc1nccs1)cccc2
InChi:InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-(1,3-thiazol-2-yl)benzamide
GXO
GXO
Name:[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Formula:C40 H51 F4 N5 O9 S
SMILES:CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6
InChi:InChI=1S/C40H51F4N5O9S/c1-7-23-16-22(2)10-8-9-11-25-20-39(25,35(52)48-59(54,55)38(5)13-14-38)47-32(50)29-18-26(57-33-27-19-28(41)30(56-6)17-24(27)12-15-45-33)21-49(29)34(51)31(23)46-36(53)58-37(3,4)40(42,43)44/h9,11-12,15,17,19,22-23,25-26,29,31H,7-8,10,13-14,16,18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/b11-9-/t22-,23-,25-,26-,29+,31+,39-/m1/s1
Definition date:2020-10-06
Last modified:2020-12-11
Release date:2020-12-16
Identifier:[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
W7S
W7S
Name:N-benzylpyrazine-2-carboxamide
Formula:C12 H11 N3 O
SMILES:c2c(CNC(c1cnccn1)=O)cccc2
InChi:InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-benzylpyrazine-2-carboxamide
W7V
W7V
Name:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
Formula:C11 H15 N3 O
SMILES:C1CCC3C1(C(N(C)c2cnnc2)=O)C3
InChi:InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
W7Y
W7Y
Name:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C14 H18 N4
SMILES:c1(ncnc2nccc12)N4C(C3CCC3)CCC4
InChi:InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
X6Y
X6Y
Name:2-O-sulfo-alpha-L-fucopyranose
Formula:C6 H12 O8 S
SMILES:C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
Definition date:2020-12-01
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
NKB
NKB
Name:5,6,7-tris(bromanyl)-1~{H}-benzotriazole
Formula:C6 H2 Br3 N3
SMILES:Brc1cc2nn[nH]c2c(Br)c1Br
InChi:InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12)
Definition date:2019-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:5,6,7-tris(bromanyl)-1~{H}-benzotriazole
NKE
NKE
Name:4,7-bis(bromanyl)-1~{H}-benzotriazole
Formula:C6 H3 Br2 N3
SMILES:Brc1ccc(Br)c2nn[nH]c12
InChi:InChI=1S/C6H3Br2N3/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,(H,9,10,11)
Definition date:2019-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4,7-bis(bromanyl)-1~{H}-benzotriazole
W8A
W8A
Name:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
Formula:C8 H12 N2 O4 S
SMILES:CC(C(N1CCNC1=O)=O)SCC(=O)O
InChi:InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
W8D
W8D
Name:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
Formula:C10 H13 N5 O
SMILES:C3(CN2C=NC(=C1N=CN=C12)N)CCCO3
InChi:InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
W8J
W8J
Name:3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
Formula:C12 H17 N5 O
SMILES:C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3
InChi:InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
NKT
NKT
Name:6,7-bis(bromanyl)-1~{H}-benzotriazole
Formula:C6 H3 Br2 N3
SMILES:Brc1ccc2nn[nH]c2c1Br
InChi:InChI=1S/C6H3Br2N3/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,(H,9,10,11)
Definition date:2019-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6,7-bis(bromanyl)-1~{H}-benzotriazole
NKW
NKW
Name:6-bromanyl-1~{H}-benzotriazole
Formula:C6 H4 Br N3
SMILES:Brc1ccc2nn[nH]c2c1
InChi:InChI=1S/C6H4BrN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
Definition date:2019-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-bromanyl-1~{H}-benzotriazole
X7V
X7V
Name:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Formula:C32 H27 N3 O3
SMILES:c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5
InChi:InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1
Definition date:2020-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
NKZ
NKZ
Name:7-bromanyl-1~{H}-benzotriazole
Formula:C6 H4 Br N3
SMILES:Brc1cccc2nn[nH]c12
InChi:InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
Definition date:2019-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:7-bromanyl-1~{H}-benzotriazole

223166

건을2024-07-31부터공개중

PDB statisticsPDBj update infoContact PDBjnumon