Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01780805
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 |
FR1![]() | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.7 | ![]() |
23F![]() | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.71 | ![]() |
MX3![]() | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.77 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | ![]() |
MN7![]() | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.73 | ![]() |
TF1![]() | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU5 | 0.71 | ![]() |
TF1![]() | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU2 | 0.71 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.75 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.76 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.7 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | ![]() |
4BA![]() | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.7 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | ![]() |
SM4![]() | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.7 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.75 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.75 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.74 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.74 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.74 | ![]() |
DBZ![]() | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.74 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.71 | ![]() |
IAM![]() | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.71 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | ![]() |
S2D![]() | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.77 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.71 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.71 | ![]() |
GW5![]() | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.7 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.7 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.72 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.72 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.72 | ![]() |
BJI![]() | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.7 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.71 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.74 | ![]() |