Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03077318
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.71 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.71 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.71 | |
XK2 | [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]- HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2- NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)- 2H-1,3-DIAZEPIN-2-ONE | A,B | 1HVR | 0.72 | |
MY9 | N-{(1S,2S)-1-BENZYL-2-HYDROXY-2- [(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN- 4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]- 5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE | A | 2P8H | 0.72 | |
MU0 | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY- 4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN- 1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]- 2-OXO-3-PHENYL-1,3-OXAZOLIDINE- 5-CARBOXAMIDE | A,B | 2Q55 | 0.78 | |
C44 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1S)-1,2,3,4-tetrahydronaphthalen- 1-ylamino]propyl}-3-(1,1-dioxido- 1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | A | 2VIJ | 0.71 | |
ARQ | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.74 | |
F2I | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A | 2IQG | 0.71 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | |
FEX | A | 1OSH | 0.72 | ||
3BN | 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3- (CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]- 5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE | A | 2B8V | 0.73 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.79 | |
K30 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)- 3-fluoro-1-methylpiperidin-4-yl]- 2-(hydroxymethyl)-N-methyl-2-phenyl- 2,5-dihydro-1H-pyrrole-1-carboxamide | A,B | 3CJO | 0.7 | |
MU1 | N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)- 3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN- 5-YL]CARBONYL}AMINO)-1-BENZYL-3- HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE | A,B | 2Q54 | 0.72 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1BVG | 0.72 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1MES | 0.72 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A | 1MET | 0.72 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A,B | 1QBS | 0.72 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1BVE | 0.72 | |
DMP | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A | 1MEU | 0.72 | |
VG0 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.77 | |
VG5 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxo-2,3-dihydro-1H-pyrrol- 1-yl)benzamide | A | 2VJ6 | 0.75 | |
5HA | N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)- 2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A | 2B8L | 0.75 | |
CM8 | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 3-(1,1-dioxido-1,2-thiazinan-2- yl)-5-(ethylamino)benzamide | A | 2VNM | 0.71 | |
A70 | N-ethyl-N-[(4-methylpiperazin-1- yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)- 4-(butylcarbamoyl)-1-(cyclohexylmethyl)- 2-hydroxy-5-methylhexyl]-L-norleucinamide | A | 1ZAP | 0.7 | |
A00 | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide | A,B | 2QMP | 0.71 | |
BN6 | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12- BIS(CYCLOPROPYLMETHYL)-8-HYDROXY- 20-METHYL-4,7,11,14,17-PENTAOXO- 2-PHENYL-18-OXA-3,6,10,12,13,16- HEXAAZAHENICOSAN-1-OIC ACID | A,C | 2F9V | 0.7 | |
BAV | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.73 | |
VG6 | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VJ7 | 0.77 | |
012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.73 | |
216 | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO- 5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7- BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1HWR | 0.74 | |
009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1- benzyl-3-{[3-(dimethylamino)benzyl]amino}- 2-hydroxypropyl]-2-oxoimidazolidine- 4-carboxamide | A,B,C | 3CKR | 0.81 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HIH | 0.75 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HII | 0.75 | |
314 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin- 2-yl]-1-(3,5-difluorobenzyl)-2- hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIB | 0.72 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1RQ9 | 0.86 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | A,B | 1DMP | 0.86 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | A | 1MER | 0.86 | |
AO2 | N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL- 2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE | A | 1R5H | 0.75 |