Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00027071
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 |
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 | 0.73 | ![]() |
C47![]() | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.71 | ![]() |
86A![]() | (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)- HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID | A,B,C | 2PJ3 | 0.71 | ![]() |
L1D![]() | (2R,4S)-N^1^-(4-chlorophenyl)-N^2^- [2-fluoro-4-(2-oxopyridin-1(2H)- yl)phenyl]-4-hydroxy-4-phenylpyrrolidine- 1,2-dicarboxamide | A,C | 2W3K | 0.72 | ![]() |
179![]() | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.77 | ![]() |
FG1![]() | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.7 | ![]() |
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 | 0.74 | ![]() |
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 | 0.75 | ![]() |
318![]() | N'-[(1S,2S)-2-[(4S)-1-benzyl-5- oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CID | 0.7 | ![]() |
MNI![]() | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.75 | ![]() |
NBX![]() | N-{[(4-aminophenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine | A | 2QN9 | 0.74 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
BFN![]() | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.71 | ![]() |
23I![]() | N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL- 5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]- 2-METHYLPROPYL}AMINO)-4-METHYL- 5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A,B,C,D | 2P4J | 0.72 | ![]() |
445![]() | N-[oxo(phenylamino)acetyl]-beta- D-glucopyranosylamine | A | 3CUW | 0.74 | ![]() |
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 | 0.74 | ![]() |
VG6![]() | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VJ7 | 0.72 | ![]() |
376![]() | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.77 | ![]() |
FNR![]() | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D,E,F, G,H | 2ISL | 0.7 | ![]() |
FNR![]() | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRY | 0.7 | ![]() |
FNR![]() | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRV | 0.7 | ![]() |
FNR![]() | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D,E,F, G,H | 2ISK | 0.7 | ![]() |
FNR![]() | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRZ | 0.7 | ![]() |
FNR![]() | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A | 2FZ5 | 0.7 | ![]() |
F59![]() | N-[(biphenyl-4-ylcarbonyl)carbamoyl]- beta-D-glucopyranosylamine | A | 2QLN | 0.71 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.73 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.73 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.73 | ![]() |
VG7![]() | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.72 | ![]() |
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 | 0.76 | ![]() |