Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
2Y2
2Y2
Name:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
Formula:C33 H48 N6 O5 S
SMILES:O=C(c2nc1ccccc1n2)NC(C(=O)NC(CC3CCCCC3)C(O)CC(C(=O)NCCN4CCOCC4)CC#C)CSC
InChi:InChI=1S/C33H48N6O5S/c1-3-9-24(31(41)34-14-15-39-16-18-44-19-17-39)21-29(40)27(20-23-10-5-4-6-11-23)37-32(42)28(22-45-2)38-33(43)30-35-25-12-7-8-13-26(25)36-30/h1,7-8,12-13,23-24,27-29,40H,4-6,9-11,14-22H2,2H3,(H,34,41)(H,35,36)(H,37,42)(H,38,43)/t24-,27+,28+,29-/m1/s1
Synonyms:CP-108,420
Definition date:2010-11-10
Last modified:2020-06-17
Identifier:N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfanyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide
312
312
Name:2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
Formula:C25 H20 N4 O6
SMILES:[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3OC)c4
InChi:InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
Synonyms:CRA_17312
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-methoxy-6-oxidobiphenyl-3-yl)butanedioate
334
334
Name:2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE
Formula:C15 H13 Br N4 O
SMILES:Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C
InChi:InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)
Synonyms:CRA_9334
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate
38O
38O
Name:4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
Formula:C21 H21 F N6 O
SMILES:Fc1cccc2c1C(N)=C(C(=O)N2)c4nc5cc(N3CCN(C)CC3)ccc5n4
InChi:InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
Synonyms:Dovitinib
Definition date:2014-07-09
Last modified:2020-06-17
Release date:2014-09-24
Identifier:4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
1RB
1RB
Name:1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE
Formula:C12 H15 N2 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1ccccc12)C(O)C3O
InChi:InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
Synonyms:ALPHA-RIBAZOLE-5'-PHOSPHATE DERIVATIVE
Definition date:2002-03-19
Last modified:2020-06-17
Identifier:1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
KKR
KKR
Name:1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione
Formula:C30 H35 N7 O3 S
SMILES:O=C(C=C(/C)C)CCC(=O)N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6
InChi:InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34)
Synonyms:1-[4-[[2-(1H-indazol-4-yl)-4-morpholinthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione
Definition date:2013-01-09
Last modified:2020-06-17
Release date:2013-02-08
Identifier:1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione
MJV
MJV
Name:N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
Formula:C21 H22 Cl F N4 O2
SMILES:c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl
InChi:InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
Synonyms:Halopemide
Definition date:2019-04-08
Last modified:2020-06-17
Release date:2020-02-19
Identifier:N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
EX7
EX7
Name:2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol
Formula:C15 H13 Cl N2 O
SMILES:c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O
InChi:InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18)
Synonyms:2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Definition date:2018-02-08
Last modified:2020-06-17
Release date:2018-03-14
Identifier:2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol
EXX
EXX
Name:4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole
Formula:C12 H10 Br4 N2 O3
SMILES:Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br
InChi:InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1
Synonyms:Tetrabromo-Deoxyribofuranosyl-Benzimidazole
Definition date:2013-05-30
Last modified:2020-06-17
Release date:2014-04-09
Identifier:4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole
H2S
H2S
Name:HYDROSULFURIC ACID
Formula:H2 S
SMILES:S
InChi:InChI=1S/H2S/h1H2
Synonyms:HYDROGEN SULFIDE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:sulfane
HT
HT
Name:2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:C25 H24 N6 O
SMILES:Oc1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)N6CCN(C)CC6
InChi:InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)
Synonyms:HOECHST 33258
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:4-[6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazol-2'-yl]phenol
HT2
HT2
Name:5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
Formula:C22 H18 N8
SMILES:[N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5
InChi:InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30)
Synonyms:BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide
HXL
HXL
Name:2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
Formula:C21 H18 N6 O
SMILES:[N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4
InChi:InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
Synonyms:2-(4-{4-[AMINO(IMINO)METHYL]PHENOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
Definition date:2006-01-11
Last modified:2020-06-17
Identifier:2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-benzimidazole-5-carboximidamide
ELB
ELB
Name:4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
Formula:C19 H20 I N5 O2
SMILES:Nc1cccc2N(C3CCN(CC3)C(=O)Nc4ccc(I)cc4)C(=O)Nc12
InChi:InChI=1S/C19H20IN5O2/c20-12-4-6-13(7-5-12)22-18(26)24-10-8-14(9-11-24)25-16-3-1-2-15(21)17(16)23-19(25)27/h1-7,14H,8-11,21H2,(H,22,26)(H,23,27)
Synonyms:TH5675
Definition date:2018-03-26
Last modified:2020-06-17
Release date:2018-11-28
Identifier:4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide
653
653
Name:5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE
Formula:C22 H22 N5 O
SMILES:[O-]c4c(c1ccccc1)cc(cc4c3nc2cc(ccc2n3)C(=[NH2+])N)CC[NH3+]
InChi:InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,28H,8-9,23H2,(H3,24,25)(H,26,27)/p+1
Synonyms:CRA_23653
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-(2-ammonioethyl)biphenyl-2-olate
693
693
Name:2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
Formula:C24 H17 F N4 O5
SMILES:[O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3F)c4
InChi:InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
Synonyms:CRA_17693
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-fluoro-6-oxidobiphenyl-3-yl)butanedioate
5NK
5NK
Name:2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
Formula:C22 H30 N6 O
SMILES:Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1
InChi:InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
Synonyms:JNJ-2408068
Definition date:2015-10-27
Last modified:2020-06-17
Release date:2015-12-09
Identifier:2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
6T2
6T2
Name:1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine
Formula:C26 H29 N5 O2
SMILES:CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4
InChi:InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
Synonyms:Crenolanib
Definition date:2016-06-17
Last modified:2020-06-17
Release date:2017-11-29
Identifier:1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
6ZV
6ZV
Name:N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Formula:C27 H32 F2 N8
SMILES:C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5
InChi:InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
Synonyms:Abemaciclib
Definition date:2016-08-03
Last modified:2020-06-17
Release date:2016-08-23
Identifier:N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine
762
762
Name:3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE
Formula:C20 H15 Cl N4 O
SMILES:[O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N
InChi:InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
Synonyms:CRA_10762
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate
ALW
ALW
Name:METHYL 5-(PROPYLSULFINYL)-1H-BENZIMIDAZOL-2-YLCARBAMATE
Formula:C12 H15 N3 O3 S
SMILES:O=S(c2ccc1c(nc(n1)NC(=O)OC)c2)CCC
InChi:InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m0/s1
Synonyms:ALBENDAZOLE SULPHOXIDE
Definition date:2003-06-27
Last modified:2020-06-17
Identifier:methyl {5-[(S)-propylsulfinyl]-1H-benzimidazol-2-yl}carbamate
270
270
Name:2H-BENZOIMIDAZOL-2-YLAMINE
Formula:C7 H7 N3
SMILES:N1=C2C=CC=CC2=NC1N
InChi:InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2
Synonyms:ZK-800270
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:2H-benzimidazol-2-amine
847
847
Name:2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
Formula:C18 H13 Br N4 O5
SMILES:[O-]C(=O)CC(C([O-])=O)c3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3
InChi:InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,26H,6H2,(H3,20,21)(H,22,23)(H,24,25)(H,27,28)/p-2/t9-/m1/s1
Synonyms:CRA_16847
Definition date:2003-03-14
Last modified:2020-06-17
Identifier:(2R)-2-(3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)butanedioate
NV2
NV2
Name:5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
Formula:C23 H30 N4 O4
SMILES:COCC(COC)n1c2ccc(cc2nc1C3=CN(C)C(=O)C(=C3)C)N4CCOCC4
InChi:InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
Synonyms:5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Definition date:2019-12-16
Last modified:2020-06-17
Release date:2020-01-15
Identifier:5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one
NZO
NZO
Name:nocodazole
Formula:C14 H11 N3 O3 S
SMILES:O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3
InChi:InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
Synonyms:methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
Definition date:2008-09-04
Last modified:2020-06-17
Identifier:methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon