Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01879175
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 |
U17 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]- L-SERYL-L-LEUCINATE | A | 2GGB | 0.73 | |
TCO | TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE | A | 1Q6K | 0.79 | |
RO4 | [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL- BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER | A | 2TCL | 0.78 | |
REY | GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANINE | A | 1IKI | 0.73 | |
LBY | N~6~-(TERT-BUTOXYCARBONYL)-L-LYSINE | A | 2ZIN | 0.72 | |
HU1 | TERT-BUTYL {(1S)-2-[(1R,2S,5S)- 2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)- 2,3-DIOXOPROPYL]AMINO}CARBONYL)- 6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX- 3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE | A,C | 2OC0 | 0.75 | |
HU4 | TERT-BUTYL {(1S)-2-[(1R,2S,5R)- 2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)- 2,3-DIOXOPROPYL]AMINO}CARBONYL)- 7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT- 3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE | A,C | 2OC7 | 0.72 | |
IGN | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | A | 1K1O | 0.74 | |
IGN | {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | H,I | 1K21 | 0.74 | |
HUD | TERT-BUTYL [(1S)-1-{[(1R,2S,5S)- 2-({[(1S)-3-AMINO-1-(CYCLOPROPYLMETHYL)- 2,3-DIOXOPROPYL]AMINO}CARBONYL)- 6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX- 3-YL]CARBONYL}-2,2-DIMETHYLPROPYL]CARBAMATE | A,C | 2OBO | 0.76 | |
AR9 | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7- dimethyl-3,15-dioxo-1,4-diazacyclopentadecan- 5-yl]-4-hydroxy-2-methylbutanamide | A,B,C | 3DV1 | 0.71 | |
CIB | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1- (1-FORMYL-PENTYLCARBAMOYL)-3-METHYL- BUTYL]-AMIDE | H,I,J,K,L,M,N | 1J2Q | 0.74 | |
REZ | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID | A,B | 2J9P | 0.71 | |
REZ | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}- 7-OXOHEPTANOIC ACID | A,B,C,D | 2VGK | 0.71 | |
140 | N-PALMITOYLGLYCINE | A,B | 1JPZ | 0.72 | |
140 | N-PALMITOYLGLYCINE | A,B | 1ZOA | 0.72 | |
140 | N-PALMITOYLGLYCINE | A,B | 3CBD | 0.72 | |
IVS | 3-HYDROXY-6-METHYL-4-(3-METHYL- 2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)- BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER | A,B | 1ME6 | 0.72 | |
277 | N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)- 3-FLUOROPYRROLIDIN-1-YL]-1-METHYL- 3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE | A,B | 2OPH | 0.7 | |
BEQ | N-(CARBOXYMETHYL)-N,N-DIMETHYL- 3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT | A,B,C,D | 1YBK | 0.73 | |
REX | GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL- D-ALANYL-D-ALANINE | A | 1IKG | 0.73 | |
TRL | {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO- PYRROLIDINE-1-CARBONYL]-2-METHYL- PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | A,B | 1N1L | 0.73 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 3EDZ | 0.7 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 3EWJ | 0.7 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 2DDF | 0.7 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B,C,D | 2I47 | 0.7 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,C,E,I | 1BKC | 0.7 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 2FV9 | 0.7 | |
INN | 3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]- 4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL- L-ALANINE | A,B | 3E8R | 0.7 | |
BAA | (TERT-BUTYLOXYCARBONYL)-ALANYL- ALANYL-AMINE | A | 1ELG | 0.72 |