Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02505860
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 |
DBL | DEGLUCOBALHIMYCIN | A,B,C,P | 1HHZ | 0.75 |  |
| DBL | DEGLUCOBALHIMYCIN | A,B,N,P | 1HHY | 0.75 | |
NGM | NOGALAMYCIN | A,B,C,D | 258D | 0.71 | |
| NGM | NOGALAMYCIN | A | 282D | 0.71 | |
| NGM | NOGALAMYCIN | A,B | 224D | 0.71 | |
| NGM | NOGALAMYCIN | A,B | 245D | 0.71 | |
| NGM | NOGALAMYCIN | A,B | 1QCH | 0.71 | |
| NGM | NOGALAMYCIN | A | 1D17 | 0.71 | |
| NGM | NOGALAMYCIN | A,B | 1D21 | 0.71 | |
| NGM | NOGALAMYCIN | A,B | 182D | 0.71 | |
PI8 | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.72 | |
EH5 | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.79 | |
REN | (S)-reticuline | A | 3FWA | 0.72 | |
| REN | (S)-reticuline | A | 3D2D | 0.72 | |
ROM | C-1027 AROMATIZED CHROMOPHORE | A | 1HZL | 0.7 | |
NLX | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY- 17-METHYL-6-OXO-17-(2-PROPENYL)- MORPHINANIUM | A,B,C,D,E,F, G,H,I,J,K,L | 1MX9 | 0.75 | |
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 | 0.74 | |
545 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL- PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER | A | 1JIK | 0.7 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.74 | |
| CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.74 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.72 | |
NOV | NOVOBIOCIN | A,B | 1KIJ | 0.71 | |
| NOV | NOVOBIOCIN | A,B | 1S14 | 0.71 | |
| NOV | NOVOBIOCIN | A | 1AJ6 | 0.71 | |
S2A | A | 2OEY | 0.72 | | |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.74 | |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.77 | |
UMG | METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE | A | 1BB6 | 0.71 | |
MUS | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.72 | |
MOI | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.7 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.7 | |
HMT | (3beta)-O~3~-[(2R)-2,6-dihydroxy- 2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | 0,1,2,3,9,A, B,C,F,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3G6E | 0.75 | |
SHP | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.7 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.71 | |
NGU | U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN | A,B | 1D22 | 0.71 | |
VAN | VANCOMYCIN | A | 1C0R | 0.73 | |
| VAN | VANCOMYCIN | A,B | 1SHO | 0.73 | |
| VAN | VANCOMYCIN | A,B | 1PNV | 0.73 | |
| VAN | VANCOMYCIN | A | 1C0Q | 0.73 | |
| VAN | VANCOMYCIN | A | 1QD8 | 0.73 | |
| VAN | VANCOMYCIN | A,B,C,D,E,F | 1FVM | 0.73 | |
| VAN | VANCOMYCIN | A | 1AA5 | 0.73 | |
XN2 | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)- PENTANAMIDE | A,B | 1K6V | 0.8 | |
VAG | VANCOMYCIN AGLYCON | A | 1GHG | 0.73 | |
NGP | NOGALAMYCIN (PROTONATED FORM) | A | 1L0R | 0.72 | |
DVV | DESVANCOSAMINYL VANCOMYCIN | A,B | 1PN3 | 0.74 | |
| DVV | DESVANCOSAMINYL VANCOMYCIN | A,B | 1RRV | 0.74 | |
POD | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)- 5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3- D][1,3]DIOXOL-6(5AH)-ONE | A,B,C,D | 1SA1 | 0.75 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.73 | |
| BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.73 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.74 | |
DM9 | N-HYDROXYMETHYL-N-(2-METHOXYETHYL)- DAUNOMYCIN | A | 482D | 0.73 | |
GGO | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL- 5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 2-ONE | B | 2OQI | 0.74 | |
XN3 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(BENZO[1,3]DIOXOL-5-YLMETHYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6P | 0.8 | |
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 | 0.71 | |
| 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 | 0.71 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.72 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.71 | |
NCG | A | 1MP7 | 0.72 | | |
NHN | A,C | 2GVF | 0.71 | | |
BMY | BALHIMYCIN | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,S | 1GO6 | 0.74 | |
| BMY | BALHIMYCIN | A,B,C,D,E,M | 1HHU | 0.74 | |
L75 | N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)- PHENYLMETHYL-4(S)-HYDROXY-5-[4- [2-BENZOFURANYLMETHYL]-2(S)-[TERT- BUTYLAMINOCARBONYL]-PIPERAZINYL]- PENTANEAMIDE | B | 1C70 | 0.7 | |
DPD | A,B | 1QIW | 0.7 | | |
| DPD | A | 1QIV | 0.7 | | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.72 | |
GUM | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.72 | |
BA1 | BALANOL | A | 1BX6 | 0.72 | |
NCS | B | 1KVH | 0.73 | | |
| NCS | A | 2NEO | 0.73 | |