Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01658743
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 |
95A | TMC-95A | D,F,G,H,I,L, N,O,P | 1JD2 | 0.71 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.76 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.76 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.76 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.76 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.76 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.71 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.74 | |
DMB | A,B | 1SRI | 0.72 | ||
824 | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 1X8B | 0.7 | |
RYU | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.71 | |
HAB | A,B | 1SRE | 0.75 | ||
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.72 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.73 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.74 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.73 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.7 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.7 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.74 | |
ISN | ISATIN | A,B | 1OJA | 0.75 | |
ISN | ISATIN | A,B | 2BK5 | 0.75 | |
BC6 | (4E,8S,9R,10E,12S,13R,14S,16R)- 13,20-dihydroxy-14-methoxy-4,8,10,12,16- pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa- 1(22),4,10,18,20-pentaen-9-yl carbamate | A,B,C,D | 2VW5 | 0.72 | |
DZ2 | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3ESO | 0.74 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 1Q7A | 0.77 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A,B | 2BXB | 0.77 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 2BXO | 0.77 | |
3GV | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A,B | 3GVB | 0.71 | |
BRY | A | 2BHE | 0.7 | ||
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.82 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.82 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.73 | |
ILC | A | 2FPV | 0.7 | ||
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.81 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.79 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.74 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.74 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.74 | |
ILB | A | 2FPT | 0.77 | ||
679 | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.7 | |
3FT | A | 2BXV | 0.79 | ||
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.72 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4H | 0.7 | |
UA1 | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4G | 0.7 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.74 | |
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.73 | |
FEF | A,B | 2VZ6 | 0.73 | ||
N3P | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE | A,B,C,D | 2OT1 | 0.71 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.75 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | |
3XH | 3-Hydroxyhippuric acid | A | 3E9K | 0.72 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.72 | |
136 | N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)- 2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE | B | 1GJD | 0.72 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.72 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.72 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.71 | |
135 | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.81 | |
TYP | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | A,B | 1W1Y | 0.71 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.75 | |
MTB | A,B | 1SRF | 0.71 | ||
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.71 | |
CNO | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.71 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.78 | |
ILH | A | 2FQI | 0.75 | ||
MHB | A,B | 1SRG | 0.73 | ||
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.75 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.75 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.75 | |
6CA | A | 2FLM | 0.7 | ||
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.7 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.7 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.7 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.7 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.72 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.71 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.77 | |
ST2 | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.74 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.74 | |
NAB | A,B | 1SRJ | 0.71 | ||
709 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.76 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.76 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.76 | |
617 | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.71 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.9 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.7 | |
DZ3 | N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide | A,B | 3ESP | 0.75 | |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.71 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.7 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.71 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.72 | |
44C | A | 2FBR | 0.7 | ||
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.7 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.71 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.73 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 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 | |
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.81 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.73 |