Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726188
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 |
TAC | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.72 | |
TAC | TETRACYCLINE | A | 2VKE | 0.72 | |
TAC | TETRACYCLINE | A | 2TRT | 0.72 | |
TAC | TETRACYCLINE | B | 2UXO | 0.72 | |
TAC | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.72 | |
TAC | TETRACYCLINE | A,D,H,N | 1HNW | 0.72 | |
TAC | TETRACYCLINE | A,B | 2HCJ | 0.72 | |
CMD | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN | A | 236D | 0.88 | |
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.72 | |
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 | 0.89 | |
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 | 0.89 | |
RUT | RUTIN | A,B | 1RY8 | 0.76 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.78 | |
TXL | TAXOTERE | A,B,K | 1IA0 | 0.71 | |
TXL | TAXOTERE | A,B | 1TUB | 0.71 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.74 | |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 0.74 | ||
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.72 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.72 | |
GGT | Trioxacarcin A | A,B | 3C2J | 0.76 | |
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 | 0.75 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.71 | |
MNG | MENOGARIL | A,B | 202D | 0.86 | |
DRA | 11-DEOXY-BETA-RHODOMYCIN | A,B | 1XDS | 0.91 | |
E3G | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.73 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.74 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.74 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.71 | |
DDI | A | 1R4E | 0.74 | ||
DDI | A | 1P96 | 0.74 | ||
HMY | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.74 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.78 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.78 | |
TA1 | TAXOL | A,B | 1JFF | 0.71 | |
TA1 | TAXOL | A,B,C | 2HXH | 0.71 | |
TA1 | TAXOL | A,B,N | 3DCO | 0.71 | |
TA1 | TAXOL | A,B,K | 2P4N | 0.71 | |
TA1 | TAXOL | A,B,D,F,G | 3EDL | 0.71 | |
TA1 | TAXOL | A,B,C | 2HXF | 0.71 | |
TA1 | TAXOL | A,B,C | 2WBE | 0.71 | |
DXB | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE | A,B | 1BP8 | 0.74 | |
NGP | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.82 | |
NGM | NOGALAMYCIN | A,B,C,D | 258D | 0.83 | |
NGM | NOGALAMYCIN | A | 282D | 0.83 | |
NGM | NOGALAMYCIN | A,B | 224D | 0.83 | |
NGM | NOGALAMYCIN | A,B | 245D | 0.83 | |
NGM | NOGALAMYCIN | A,B | 1QCH | 0.83 | |
NGM | NOGALAMYCIN | A | 1D17 | 0.83 | |
NGM | NOGALAMYCIN | A,B | 1D21 | 0.83 | |
NGM | NOGALAMYCIN | A,B | 182D | 0.83 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.87 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.87 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.72 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.99 | |
DM5 | IDARUBICIN | A | 1D38 | 0.99 | |
DM5 | IDARUBICIN | A | 1D67 | 0.99 | |
NCG | A | 1MP7 | 0.71 | ||
AKY | A,B,C,D | 2IPI | 0.9 | ||
7CA | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.77 | |
STG | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.71 | |
STG | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.71 | |
DXA | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | A,B | 1CP8 | 0.74 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.84 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.74 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.74 | |
DM9 | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.84 | |
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 | |
AKA | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) | A | 1Q0Z | 0.91 | |
113 | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1KR3 | 0.71 | |
113 | 7,8-DIHYDROXY-1-METHOXY-3-METHYL- 10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3- B]CHROMENE-9-CARBOXYLIC ACID | A,B | 1HLK | 0.71 | |
DZN | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.77 | |
BA1 | BALANOL | A | 1BX6 | 0.73 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.99 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 215D | 0.9 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 235D | 0.9 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A | 234D | 0.9 | |
DMM | 3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)- DOXORUBICIN | A,B | 2DES | 0.9 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.72 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.72 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.94 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.94 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.94 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.72 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.72 | |
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 | 0.98 | |
HEH | HEDAMYCIN | A | 1JHI | 0.79 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 276D | 0.94 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 288D | 0.94 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 277D | 0.94 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 380D | 0.94 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A,B | 381D | 0.94 | |
DM8 | 2'-BROMO-4'-EPIDAUNORUBICIN | A | 278D | 0.94 | |
DM1 | DAUNOMYCIN | A | 152D | 0.98 | |
DM1 | DAUNOMYCIN | A,B,C,D | 1O0K | 0.98 | |
DM1 | DAUNOMYCIN | A | 1JO2 | 0.98 | |
DM1 | DAUNOMYCIN | A,B | 308D | 0.98 | |
DM1 | DAUNOMYCIN | A | 1D33 | 0.98 | |
DM1 | DAUNOMYCIN | A | 110D | 0.98 | |
DM1 | DAUNOMYCIN | A | 1D11 | 0.98 | |
DM1 | DAUNOMYCIN | A | 427D | 0.98 | |
DM1 | DAUNOMYCIN | A | 2D34 | 0.98 | |
DM1 | DAUNOMYCIN | A | 3F8F | 0.98 | |
DM1 | DAUNOMYCIN | A | 1D10 | 0.98 | |
DM1 | DAUNOMYCIN | A | 1DA0 | 0.98 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.95 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.95 | |
MAR | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.95 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.71 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.97 | |
NCS | B | 1KVH | 0.75 | ||
NCS | A | 2NEO | 0.75 | ||
TBH | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)- AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}- 3-HYDROXY-3-PENTYLAMINO-PROPYL)- 2-CARBOXYMETHOXY-BENZOIC ACID | B | 1JF7 | 0.73 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.92 | |
2HI | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE | A | 1ZG3 | 0.72 | |
NGU | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.83 | |
S2A | A | 2OEY | 0.76 | ||
DM6 | 4'-EPIDOXORUBICIN | A | 1D15 | 0.98 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D54 | 0.98 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1D58 | 0.98 | |
DM6 | 4'-EPIDOXORUBICIN | A | 1QDA | 0.98 | |
DM2 | DOXORUBICIN | A | 2DR6 | 0.98 | |
DM2 | DOXORUBICIN | A | 1P20 | 0.98 | |
DM2 | DOXORUBICIN | A | 1I1E | 0.98 | |
DM2 | DOXORUBICIN | A | 151D | 0.98 | |
DM2 | DOXORUBICIN | A | 1D12 | 0.98 | |
DM2 | DOXORUBICIN | A | 1DA9 | 0.98 |