Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00423312
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 |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.76 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.89 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.83 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.83 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.86 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.71 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.72 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.79 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.79 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.79 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.79 | |
GG1 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP- 1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN- 3(2H)-YL]METHYL}BENZOIC ACID | A,B,C,D,E,F, G,H | 2OZR | 0.72 | |
L04 | A | 1HFS | 0.7 | ||
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.75 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.71 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.72 | |
VBP | 4-({3-[(2R)-2-amino-2-carboxyethyl]- 2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)benzoic acid | B,E,G,H,J,L, N,P | 3H06 | 0.7 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.73 | |
UBC | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4- DIONE | A,B | 2F35 | 0.71 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | X | 2IJG | 0.7 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 2J4D | 0.7 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 1DNP | 0.7 | |
IBA | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.83 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.72 | |
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.76 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.73 | |
3FL | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.72 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.82 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.86 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.84 | |
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 | |
HAQ | 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO- AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID | D | 1D5X | 0.72 | |
ST2 | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.74 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | |
RAI | 1-(4-CARBOXY-2-GUANIDINOPENTYL)- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9T | 0.82 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.7 | |
RA2 | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.83 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.72 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.81 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.81 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.81 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.7 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.72 | |
AAF | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.8 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.71 |