Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01627036
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 |
DEO![]() | A,B | 1ROS | 0.73 | ![]() | |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.75 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.75 | ![]() |
C39![]() | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.7 | ![]() |
697![]() | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.71 | ![]() |
B8L![]() | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.72 | ![]() |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.71 | ![]() |
ADF![]() | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 152D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A,B,C,D | 1O0K | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1JO2 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A,B | 308D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D33 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 110D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D11 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 427D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 2D34 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 3F8F | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D10 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1DA0 | 0.71 | ![]() |
DBO![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.7 | ![]() |
AP1![]() | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.72 | ![]() |
DM2![]() | DOXORUBICIN | A | 2DR6 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1P20 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1I1E | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 151D | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1D12 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1DA9 | 0.71 | ![]() |
2FF![]() | (5-(aminomethyl)-2H-spiro[benzofuran- 3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan- 2-yl)methanone | A,B,C,D | 2ZA5 | 0.7 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.71 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.71 | ![]() |
397![]() | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.72 | ![]() |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.7 | ![]() |
ANM![]() | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.7 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.71 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.71 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.71 | ![]() |
DCH![]() | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.73 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.72 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.72 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.71 | ![]() |
AI1![]() | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.75 | ![]() |