Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330888
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 |
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 | 0.7 |  |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.71 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.74 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.71 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.7 | |
| 1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.7 | |
BJH | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.74 | |
1BA | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.72 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.73 | |
MOY | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.74 | |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.7 | |
687 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL- O-PHOSPHONOTYROSINAMIDE | A | 1O45 | 0.71 | |
D3P | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.72 | |
| D3P | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.72 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.7 | |
| AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.7 | |
DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOD | 0.72 | |
| DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1DOE | 0.72 | |
| DOB | 2,4-DIHYDROXYBENZOIC ACID | A | 1PBB | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.76 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.76 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.76 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.76 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.76 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.76 | |
| EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.76 | |
BD2 | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.72 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.72 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.72 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.72 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.72 | |
| SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.72 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.75 | |
| TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.75 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.72 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.76 | |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.72 | |
GEN | GENISTEIN | A | 1QKM | 0.71 | |
| GEN | GENISTEIN | A,B | 1X7J | 0.71 | |
| GEN | GENISTEIN | A,B | 2QA8 | 0.71 | |
| GEN | GENISTEIN | A | 1X7R | 0.71 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.71 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.7 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.74 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.73 | |
AGI | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.7 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.72 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.73 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.7 | |
| FLV | FLAVIOLIN | A | 1T93 | 0.7 | |
| FLV | FLAVIOLIN | A | 2D09 | 0.7 | |
161 | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | A,B | 1NMS | 0.71 | |
DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.7 | |
| DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.7 | |
| DFV | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.7 | |
TAC | TETRACYCLINE | A,B,C,D,E,F, G,H,I,J,K,L | 2HDN | 0.71 | |
| TAC | TETRACYCLINE | A | 2VKE | 0.71 | |
| TAC | TETRACYCLINE | A | 2TRT | 0.71 | |
| TAC | TETRACYCLINE | B | 2UXO | 0.71 | |
| TAC | TETRACYCLINE | A,B,D,E,G,H, J,K,L,N,P,Q, R,T | 1I97 | 0.71 | |
| TAC | TETRACYCLINE | A,D,H,N | 1HNW | 0.71 | |
| TAC | TETRACYCLINE | A,B | 2HCJ | 0.71 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.88 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.78 | |
BFS | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A | 1STD | 0.74 | |
| BFS | N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE | A,B,C | 4STD | 0.74 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.7 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.72 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.73 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.78 | |
IFA | A,B | 3FC8 | 0.73 | |