Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02360790
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 |
MHB | A,B | 1SRG | 0.82 | ||
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.71 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.71 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.83 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.83 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.72 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.74 | |
F77 | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.74 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.8 | |
452 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | A,B | 2QE2 | 0.73 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.8 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.8 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.8 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.8 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.8 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.72 | |
3FL | 3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid | A,B | 3FCL | 0.71 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.87 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.87 | |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.81 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.81 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.81 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.81 | |
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 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.74 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.74 | |
IPC | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.73 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.78 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.78 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.78 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.76 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.76 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.76 | |
137 | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.76 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.73 | |
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 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.77 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.87 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.76 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.71 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.7 | |
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.72 | |
588 | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.72 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.72 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.73 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.74 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.81 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.81 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.81 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.78 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.71 | |
NAB | A,B | 1SRJ | 0.75 | ||
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.78 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.71 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.77 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.78 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.78 | |
KYN | KYNURENINE | A | 1XT7 | 0.78 | |
KYN | KYNURENINE | A | 1T5M | 0.78 | |
KYN | KYNURENINE | A | 1T5N | 0.78 | |
KYN | KYNURENINE | A | 2VOV | 0.78 | |
KYN | KYNURENINE | A | 2VOX | 0.78 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.78 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.73 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.78 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.74 | |
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.71 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.78 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.75 | |
P2C | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID | A,B | 1U21 | 0.7 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.9 | |
A41 | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.78 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.71 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.71 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.74 | |
HAB | A,B | 1SRE | 0.83 | ||
794 | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.73 | |
NN3 | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.72 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.81 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.76 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.76 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.75 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.72 | |
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 | |
MTB | A,B | 1SRF | 0.8 | ||
DMB | A,B | 1SRI | 0.82 | ||
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 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 | 0.71 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.71 | |
A84 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.74 | |
IBA | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.71 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.75 | |
901 | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.7 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.79 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.71 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.71 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.7 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.72 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.71 |