Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243138
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 |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.73 | ![]() |
ST4![]() | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.85 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.72 | ![]() |
MAZ![]() | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.71 | ![]() |
UC3![]() | 1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE | A | 1RT6 | 0.75 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.74 | ![]() |
L98![]() | (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID | A,B,C | 1ZG8 | 0.74 | ![]() |
12B![]() | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.7 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A | 1C0I | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.79 | ![]() |
BE2![]() | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.79 | ![]() |
4PG![]() | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.75 | ![]() |
679![]() | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.74 | ![]() |
FDI![]() | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.82 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.84 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.84 | ![]() |
TYZ![]() | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.84 | ![]() |
IBA![]() | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.73 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.7 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.7 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.7 | ![]() |
SPB![]() | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.7 | ![]() |
DMB![]() | A,B | 1SRI | 0.7 | ![]() | |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.79 | ![]() |
UC4![]() | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.8 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.8 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.8 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.71 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.71 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.71 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.71 | ![]() |
GIS![]() | ETHYL-(2-CARBOXY-4-GUANIDINIUM- PHENYL)-CHLOROACETATE | E | 8EST | 0.77 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.73 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.77 | ![]() |
1JZ![]() | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.72 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.72 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.79 | ![]() |
XP1![]() | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.79 | ![]() |
2T1![]() | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.76 | ![]() |
ISN![]() | ISATIN | A,B | 1OJA | 0.72 | ![]() |
ISN![]() | ISATIN | A,B | 2BK5 | 0.72 | ![]() |
RXB![]() | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.7 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.79 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1PBD | 0.79 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | B | 2DZA | 0.79 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUS | 0.79 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUU | 0.79 | ![]() |
PAB![]() | 4-AMINOBENZOIC ACID | A | 1IUT | 0.79 | ![]() |
I3C![]() | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3GT4 | 0.7 | ![]() |
I3C![]() | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3T | 0.7 | ![]() |
I3C![]() | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3D | 0.7 | ![]() |
I3C![]() | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3S | 0.7 | ![]() |
I3C![]() | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E79 | 0.7 | ![]() |
AAF![]() | METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | B | 2G63 | 0.75 | ![]() |
MHB![]() | A,B | 1SRG | 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 | 0.7 | ![]() |
3AB![]() | 3-aminobenzamide | A,B,C,D | 3GOY | 0.75 | ![]() |
RA2![]() | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.73 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.79 | ![]() |
KYN![]() | KYNURENINE | A,B,C,D | 2R2N | 0.7 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.7 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.7 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.81 | ![]() |
SX1![]() | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.73 | ![]() |
U14![]() | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.78 | ![]() |
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 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.72 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.72 | ![]() |
KY1![]() | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.72 | ![]() |
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 | 0.76 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.81 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.74 | ![]() |
ST3![]() | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.84 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.85 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.85 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.85 | ![]() |
GBS![]() | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.85 | ![]() |
EOZ![]() | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.82 | ![]() |
HAB![]() | A,B | 1SRE | 0.71 | ![]() | |
IBR![]() | A | 9EST | 0.74 | ![]() | |
LJ5![]() | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.72 | ![]() |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.81 | ![]() |
4NB![]() | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.72 | ![]() |
794![]() | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.7 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.85 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.85 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.85 | ![]() |
GAB![]() | 3-AMINOBENZOIC ACID | A | 3FHB | 0.85 | ![]() |
UBC![]() | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4- DIONE | A,B | 2F35 | 0.7 | ![]() |
ST2![]() | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.72 | ![]() |
606![]() | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PIZ | 0.7 | ![]() |
ST5![]() | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.79 | ![]() |
A80![]() | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.77 | ![]() |