Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00587394
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 |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.73 | ![]() |
DZ2![]() | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3ESO | 0.73 | ![]() |
LJ5![]() | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.8 | ![]() |
B68![]() | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.71 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.71 | ![]() |
R37![]() | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.71 | ![]() |
194![]() | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.73 | ![]() |
ST5![]() | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.75 | ![]() |
ST4![]() | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.74 | ![]() |
HAB![]() | A,B | 1SRE | 0.74 | ![]() | |
RA2![]() | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.7 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.77 | ![]() |
DMB![]() | A,B | 1SRI | 0.78 | ![]() | |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.75 | ![]() |
421![]() | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.74 | ![]() |
DZ3![]() | N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide | A,B | 3ESP | 0.8 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.72 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.72 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.72 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.72 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.72 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.78 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.78 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.78 | ![]() |
DZ1![]() | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.8 | ![]() |
LVS![]() | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1KYI | 0.7 | ![]() |
LVS![]() | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL- LEUCINYL-LEUCINYL-VINYLSULFONE | A,B,C,G,H,I, L,M,N | 1OFI | 0.7 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.71 | ![]() |
NPA![]() | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.73 | ![]() |
SCL![]() | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.71 | ![]() |
IBA![]() | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.7 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.72 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.7 | ![]() |
BJH![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.7 | ![]() |
NPC![]() | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.77 | ![]() |
MTB![]() | A,B | 1SRF | 0.74 | ![]() | |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.73 | ![]() |
FEN![]() | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.76 | ![]() |
MHB![]() | A,B | 1SRG | 0.76 | ![]() | |
961![]() | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.72 | ![]() |
961![]() | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.72 | ![]() |
EOZ![]() | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.73 | ![]() |
RQ3![]() | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.72 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.81 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.75 | ![]() |
NIP![]() | 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION | H | 1A6W | 0.76 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 1Q7A | 0.71 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A,B | 2BXB | 0.71 | ![]() |
OPB![]() | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 2BXO | 0.71 | ![]() |
DNT![]() | 2-[1-METHYLHEXYL]-4,6-DINITROPHENOL | A,B,C | 1NEN | 0.7 | ![]() |
GW9![]() | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.71 | ![]() |
LI7![]() | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.76 | ![]() |
3FT![]() | A | 2BXV | 0.73 | ![]() | |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.74 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.78 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.72 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.72 | ![]() |
ST1![]() | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.81 | ![]() |
ST1![]() | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.81 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.73 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.73 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.73 | ![]() |
709![]() | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.77 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.74 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.74 | ![]() |
136![]() | N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)- 2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE | B | 1GJD | 0.76 | ![]() |
D27![]() | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.73 | ![]() |
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 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.72 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.72 | ![]() |
HNA![]() | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.74 | ![]() |
CRI![]() | A,B | 1VKG | 0.71 | ![]() | |
GN8![]() | (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)- 2-THIOXOTHIAZOLIDIN-4-ONE | A,B,C,D,E,F | 2P6F | 0.73 | ![]() |
968![]() | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.71 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.73 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.73 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.73 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.73 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.73 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.78 | ![]() |
195![]() | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.71 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.71 | ![]() |
ILB![]() | A | 2FPT | 0.71 | ![]() | |
394![]() | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.72 | ![]() |
P2C![]() | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID | A,B | 1U21 | 0.73 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.71 | ![]() |
R2C![]() | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.71 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.74 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.74 | ![]() |
ST2![]() | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.77 | ![]() |
4A3![]() | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.7 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.7 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.7 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.7 | ![]() |