Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02891066
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 |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.72 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.72 | ![]() |
SAL![]() | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.72 | ![]() |
K05![]() | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.71 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.76 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.76 | ![]() |
SHA![]() | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.84 | ![]() |
SHA![]() | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.84 | ![]() |
SHA![]() | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.84 | ![]() |
SHA![]() | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.84 | ![]() |
SHA![]() | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.84 | ![]() |
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 | 0.72 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.72 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.7 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.7 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.72 | ![]() |
SCL![]() | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.82 | ![]() |
IFA![]() | A,B | 3FC8 | 0.76 | ![]() | |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.79 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.79 | ![]() |
D4P![]() | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A | 1DSR | 0.71 | ![]() |
D4P![]() | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.71 | ![]() |
D4P![]() | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.71 | ![]() |
3CA![]() | A,B | 2B77 | 0.72 | ![]() | |
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 | 0.72 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.73 | ![]() |
TDC![]() | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.73 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.7 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | X | 2O48 | 0.7 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.73 | ![]() |
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 | ![]() |
IFB![]() | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.78 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.72 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.72 | ![]() |
ANF![]() | ANTHRONE | H | 2BJM | 0.73 | ![]() |
2E3![]() | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.71 | ![]() |
PY9![]() | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.74 | ![]() |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.78 | ![]() |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.78 | ![]() |
DMB![]() | A,B | 1SRI | 0.73 | ![]() | |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | ![]() |
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 | ![]() |
3XH![]() | 3-Hydroxyhippuric acid | A | 3E9K | 0.72 | ![]() |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.74 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.83 | ![]() |
BIK![]() | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.83 | ![]() |
MHB![]() | A,B | 1SRG | 0.71 | ![]() | |
TYC![]() | L-TYROSINAMIDE | A | 2BF9 | 0.71 | ![]() |
TYC![]() | L-TYROSINAMIDE | A | 2OCI | 0.71 | ![]() |
BJP![]() | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.7 | ![]() |
NAB![]() | A,B | 1SRJ | 0.75 | ![]() | |
23A![]() | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.7 | ![]() |
JUG![]() | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.78 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.76 | ![]() |
1FL![]() | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.76 | ![]() |
HNA![]() | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.72 | ![]() |
G50![]() | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.73 | ![]() |
MTB![]() | A,B | 1SRF | 0.71 | ![]() | |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.71 | ![]() |
SGI![]() | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.75 | ![]() |
1BA![]() | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.76 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.71 | ![]() |
FLV![]() | FLAVIOLIN | A | 1ZDW | 0.7 | ![]() |
FLV![]() | FLAVIOLIN | A | 1T93 | 0.7 | ![]() |
FLV![]() | FLAVIOLIN | A | 2D09 | 0.7 | ![]() |
HCC![]() | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.73 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 1L6M | 0.7 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3CBC | 0.7 | ![]() |
DBS![]() | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3BY0 | 0.7 | ![]() |
4FC![]() | A | 1YSG | 0.7 | ![]() | |
789![]() | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.72 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.71 | ![]() |
DGH![]() | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W7Q | 0.71 | ![]() |
DGH![]() | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D,E,F, G,H | 1W7R | 0.71 | ![]() |
DB1![]() | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.83 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.7 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.7 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.71 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.71 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.71 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.71 | ![]() |
3HA![]() | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.71 | ![]() |
FHI![]() | A,B | 1Y1D | 0.74 | ![]() | |
PIC![]() | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.7 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.72 | ![]() |
MNY![]() | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.75 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 3HF0 | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A | 2OXK | 0.71 | ![]() |
B3Y![]() | (3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID | A,B,C | 2OXJ | 0.71 | ![]() |
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 | ![]() |
N3P![]() | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE | A,B,C,D | 2OT1 | 0.72 | ![]() |
HBD![]() | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.78 | ![]() |
709![]() | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.73 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.74 | ![]() |
GHP![]() | 4-HYDROXYPHENYLGLYCINE | A | 1DSR | 0.71 | ![]() |
HAB![]() | A,B | 1SRE | 0.71 | ![]() | |
2BC![]() | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide | A,B,C,D,E,F | 3DP0 | 0.71 | ![]() |
201![]() | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.79 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.73 | ![]() |
BJH![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.76 | ![]() |
ECA![]() | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.76 | ![]() |