Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384489
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 |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.76 | |
NIY | META-NITRO-TYROSINE | A | 2ADP | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 3DIV | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 2H5U | 0.73 | |
NIY | META-NITRO-TYROSINE | A | 1K4Q | 0.73 | |
NIY | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.73 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.72 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.73 | |
MTB | A,B | 1SRF | 0.72 | ||
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.77 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.83 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.7 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3GT4 | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3T | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3D | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3S | 0.73 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E79 | 0.73 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.74 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.74 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.84 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.84 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.84 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.7 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.7 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.7 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.73 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.76 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.72 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.72 | |
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.71 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.77 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.72 | |
MHB | A,B | 1SRG | 0.76 | ||
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.73 | |
DMB | A,B | 1SRI | 0.75 | ||
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.7 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.7 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.7 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.7 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.7 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.77 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.72 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.71 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.76 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A,B | 1IVD | 0.71 | |
ST1 | 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID | A | 1IVB | 0.71 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.77 | |
NAB | A,B | 1SRJ | 0.71 | ||
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.78 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.71 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.77 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.77 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.77 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.84 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.84 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.84 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.84 | |
HAB | A,B | 1SRE | 0.76 | ||
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.75 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.78 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.85 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.85 | |
A41 | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.75 | |
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.71 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.73 | |
F77 | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.71 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.72 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.74 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.74 | |
KYN | KYNURENINE | A | 1XT7 | 0.74 | |
KYN | KYNURENINE | A | 1T5M | 0.74 | |
KYN | KYNURENINE | A | 1T5N | 0.74 | |
KYN | KYNURENINE | A | 2VOV | 0.74 | |
KYN | KYNURENINE | A | 2VOX | 0.74 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.75 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.76 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.74 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.76 |