Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01121070
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 |
AIA | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL- 2-OXOETHANAMINE | A | 2GBF | 0.75 |  |
NMP | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO- ACETYLAMINO)-ACETYLAMINO]-N-(3- MERCAPTO-PROPYL)-PROPIONAMIDE | A | 1M4B | 0.73 | |
PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDB | 0.75 | |
| PPL | PIPERIDINE-2-CARBOXYLIC ACID TERT- BUTYLAMIDE | A,B | 1IDA | 0.75 | |
277 | N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)- 3-FLUOROPYRROLIDIN-1-YL]-1-METHYL- 3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE | A,B | 2OPH | 0.83 | |
IGN | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | A | 1K1O | 0.73 | |
| IGN | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | H,I | 1K21 | 0.73 | |
AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2EEP | 0.72 | |
| AIO | [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN- 2-YL]BORONIC ACID | A | 2Z3Z | 0.72 | |
1AD | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)- 5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]- 1-CYCLOPENTYL-2-OXOETHANAMINE | A | 2GBG | 0.77 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 3EDZ | 0.73 | |
| INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 3EWJ | 0.73 | |
| INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 2DDF | 0.73 | |
| INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B,C,D | 2I47 | 0.73 | |
| INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,C,E,I | 1BKC | 0.73 | |
| INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 2FV9 | 0.73 | |
| INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 3E8R | 0.73 | |
CIB | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE | H,I,J,K,L,M,N | 1J2Q | 0.77 | |
BB1 | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]- HEXANOIC ACID (1-DIMETHYLCARBAMOYL- 2,2-DIMETHYL-PROPYL)-AMIDE | A,B,C | 1G27 | 0.71 | |
RIN | 3-AMINO-AZACYCLOTRIDECAN-2-ONE | A,B | 1KBC | 0.73 | |
Y11 | N-[(1S)-2-[(4-cyano-1-methylpiperidin- 4-yl)amino]-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9M | 0.71 | |