Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02498414
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 |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.7 | ![]() |
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 | ![]() |
NGP![]() | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.76 | ![]() |
DRA![]() | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.77 | ![]() |
S2A![]() | A | 2OEY | 0.73 | ![]() | |
AKT![]() | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.79 | ![]() |
AKY![]() | A,B,C,D | 2IPI | 0.76 | ![]() | |
NCS![]() | B | 1KVH | 0.71 | ![]() | |
NCS![]() | A | 2NEO | 0.71 | ![]() | |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 1L6M | 0.71 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3CBC | 0.71 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3BY0 | 0.71 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.7 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.7 | ![]() |
NGU![]() | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.73 | ![]() |
ERT![]() | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW2 | 0.78 | ![]() |
ERT![]() | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW3 | 0.78 | ![]() |
ECA![]() | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.72 | ![]() |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.75 | ![]() |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.75 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.7 | ![]() |
CHR![]() | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.7 | ![]() |
ZCT![]() | A,B,C,D,E,F, G,H | 3B6A | 0.7 | ![]() | |
BD2![]() | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.72 | ![]() |
TNC![]() | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.7 | ![]() |
MR0![]() | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.71 | ![]() |
B8L![]() | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.74 | ![]() |
CTC![]() | 7-CHLOROTETRACYCLINE | A | 1BJ0 | 0.71 | ![]() |
CTC![]() | 7-CHLOROTETRACYCLINE | A,B | 1BJY | 0.71 | ![]() |
CTC![]() | 7-CHLOROTETRACYCLINE | A | 2FJ1 | 0.71 | ![]() |
CTC![]() | 7-CHLOROTETRACYCLINE | A | 1DU7 | 0.71 | ![]() |
CTC![]() | 7-CHLOROTETRACYCLINE | A,B | 3EGZ | 0.71 | ![]() |
CTC![]() | 7-CHLOROTETRACYCLINE | A | 2TCT | 0.71 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.74 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.74 | ![]() |
DM5![]() | IDARUBICIN | A,B,D | 198D | 0.8 | ![]() |
DM5![]() | IDARUBICIN | A | 1D38 | 0.8 | ![]() |
DM5![]() | IDARUBICIN | A | 1D67 | 0.8 | ![]() |
44D![]() | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL- TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY- 6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]- 6,9,11-TRIHYDROXY-9-(2-HYDROXY- ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE- 5,12-DIONE | A,B | 1NAB | 0.79 | ![]() |
IFB![]() | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.72 | ![]() |
EB4![]() | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide) | A,B,C | 3CMP | 0.74 | ![]() |
MNG![]() | MENOGARIL | A,B | 202D | 0.75 | ![]() |
DM9![]() | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.71 | ![]() |
DXT![]() | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)- 3,5,10,12,12A-PENTAHYDROXY-6-METHYL- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A- OCTAHYDROTETRACENE-2-CARBOXAMIDE | A | 2O7O | 0.78 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.72 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.72 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.72 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B,C,D | 1VAQ | 0.72 | ![]() |
BNR![]() | BIS-DAUNORUBICIN | B | 1AMD | 0.74 | ![]() |
TA1![]() | TAXOL | A,B | 1JFF | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,C | 2HXH | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,N | 3DCO | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,K | 2P4N | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,D,F,G | 3EDL | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,C | 2HXF | 0.73 | ![]() |
TA1![]() | TAXOL | A,B,C | 2WBE | 0.73 | ![]() |
AKA![]() | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.77 | ![]() |
NOD![]() | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.81 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.71 | ![]() |
TXL![]() | TAXOTERE | A,B,K | 1IA0 | 0.72 | ![]() |
TXL![]() | TAXOTERE | A,B | 1TUB | 0.72 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.74 | ![]() |
TAC![]() | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.76 | ![]() |
TAC![]() | TETRACYCLINE | A | 2VKE | 0.76 | ![]() |
TAC![]() | TETRACYCLINE | A | 2TRT | 0.76 | ![]() |
TAC![]() | TETRACYCLINE | B | 2UXO | 0.76 | ![]() |
TAC![]() | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.76 | ![]() |
TAC![]() | TETRACYCLINE | A,D,H,N | 1HNW | 0.76 | ![]() |
TAC![]() | TETRACYCLINE | A,B | 2HCJ | 0.76 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.77 | ![]() |
BDA![]() | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.77 | ![]() |
DM1![]() | DAUNOMYCIN | A | 152D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A,B,C,D | 1O0K | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1JO2 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A,B | 308D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D33 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 110D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D11 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 427D | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 2D34 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 3F8F | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D10 | 0.78 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1DA0 | 0.78 | ![]() |
DM4![]() | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.79 | ![]() |
CS5![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.71 | ![]() |
NGM![]() | NOGALAMYCIN | A,B,C,D | 258D | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A | 282D | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 224D | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 245D | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 1QCH | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A | 1D17 | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 1D21 | 0.73 | ![]() |
NGM![]() | NOGALAMYCIN | A,B | 182D | 0.73 | ![]() |
CMD![]() | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.75 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 2DR6 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1P20 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1I1E | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 151D | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1D12 | 0.78 | ![]() |
DM2![]() | DOXORUBICIN | A | 1DA9 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D15 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D54 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D58 | 0.78 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1QDA | 0.78 | ![]() |
HEH![]() | HEDAMYCIN | A | 1JHI | 0.76 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.76 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.76 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.76 | ![]() |
DMM![]() | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.76 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.77 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.77 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.77 | ![]() |
485![]() | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO- PYRAN-2-YL)- ACETIC ACID | A | 1JIL | 0.71 | ![]() |
IFA![]() | A,B | 3FC8 | 0.73 | ![]() | |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.76 | ![]() |
DM8![]() | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.76 | ![]() |