Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00454092
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 |
4A3![]() | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.74 | ![]() |
RBE![]() | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1RIU | 0.71 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.75 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.75 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.83 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.83 | ![]() |
UC3![]() | 1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE | A | 1RT6 | 0.73 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.73 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.73 | ![]() |
BHA![]() | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.73 | ![]() |
MCG![]() | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.7 | ![]() |
ST5![]() | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.75 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.78 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.72 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.81 | ![]() |
EAB![]() | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.75 | ![]() |
IBA![]() | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.75 | ![]() |
ICU![]() | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.75 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.75 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.75 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.71 | ![]() |
SX1![]() | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.71 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.72 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.77 | ![]() |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.76 | ![]() |
SK2![]() | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.71 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.7 | ![]() |
RA2![]() | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.75 | ![]() |
DMC![]() | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.71 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.73 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.71 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A | 1C0I | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.77 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.77 | ![]() |
AAF![]() | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.79 | ![]() |
U14![]() | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.72 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.78 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.78 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.78 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.78 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.7 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.78 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.84 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.84 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.84 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.84 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.84 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.77 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.77 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.77 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.77 | ![]() |
KYN![]() | KYNURENINE | A,B,C,D | 2R2N | 0.72 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.72 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.72 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.72 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.72 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.72 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.72 | ![]() |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.72 | ![]() |
COC![]() | COCAINE | A,C | 1I7Z | 0.7 | ![]() |
COC![]() | COCAINE | H | 1Q72 | 0.7 | ![]() |
COC![]() | COCAINE | L | 2AJV | 0.7 | ![]() |
COC![]() | COCAINE | A,B,C,D,E | 2PGZ | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.7 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.7 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.75 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.75 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.75 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.75 | ![]() |
B3N![]() | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.75 | ![]() |
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 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.72 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.78 | ![]() |
ST4![]() | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.76 | ![]() |
IBR![]() | A | 9EST | 0.74 | ![]() | |
MAZ![]() | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.74 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.77 | ![]() |
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 | 0.71 | ![]() |