Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00354889
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 |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.77 |  |
FRA | [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO- 4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC- 1-YLCARBAMOYLOXY]-ACETIC ACID | A,B,H,L | 1A4K | 0.71 | |
PRQ | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.75 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSK | 0.7 | |
| MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSJ | 0.7 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.71 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.72 | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.71 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.74 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.73 | |
| PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.73 | |
NPC | 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION | H,I,J | 1A6V | 0.7 | |
FEX | A | 1OSH | 0.7 | | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.77 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.77 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.77 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.77 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.76 | |
G30 | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid | A | 3G30 | 0.75 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.74 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.73 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.71 | |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.78 | |
TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E36 | 0.7 | |
| TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E37 | 0.7 | |
| TPY | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E38 | 0.7 | |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.7 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.76 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.71 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.7 | |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.7 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.71 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.7 | |
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 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.76 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.76 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.76 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.76 | |
2T3 | (2R,3R)-4-ANILINO-2,3-DIHYDROXY- 4-OXOBUTANOIC ACID | A | 2P36 | 0.7 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.76 | |
TNS | A,B,L | 2G2R | 0.77 | | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.7 | |
HYQ | REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO- 2-(4-NITRO-1-NAPHTHALENYL)-4,7- ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE | A | 1XNN | 0.72 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.73 | |
| DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.73 | |
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 | |
CRI | A,B | 1VKG | 0.71 | | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.73 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.72 | |
AAH | H | 1KEL | 0.72 | | |
| AAH | B,H | 1FL6 | 0.72 | |