Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336193
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 |
2ML![]() | 2-METHYLLEUCINE | A,B,C | 1I1L | 0.74 | ![]() |
2ML![]() | 2-METHYLLEUCINE | A | 2RM9 | 0.74 | ![]() |
2ML![]() | 2-METHYLLEUCINE | A | 2RMD | 0.74 | ![]() |
IKT![]() | 3-(1-AMINOETHYL)NONANEDIOIC ACID | A | 1DAE | 0.8 | ![]() |
NLK![]() | (2R,5S)-5-amino-2-butyl-4-oxononanoic acid | A,B,I | 3DCK | 0.75 | ![]() |
CPV![]() | 5-AMINO-6-CYCLOHEXYL-4-HYDROXY- 2-ISOPROPYL-HEXANOIC ACID | I | 1IVQ | 0.72 | ![]() |
NLH![]() | (2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid | A,B,I | 3DCR | 0.75 | ![]() |
KAP![]() | 7-KETO-8-AMINOPELARGONIC ACID | A,B | 1QJ3 | 0.73 | ![]() |
KAP![]() | 7-KETO-8-AMINOPELARGONIC ACID | A,B,C,D | 3FMI | 0.73 | ![]() |
KAP![]() | 7-KETO-8-AMINOPELARGONIC ACID | A,B | 3DU4 | 0.73 | ![]() |
DOA![]() | 12-AMINO-DODECANOIC ACID | B | 1EOJ | 0.72 | ![]() |
DOA![]() | 12-AMINO-DODECANOIC ACID | A,D | 1H8T | 0.72 | ![]() |
DOA![]() | 12-AMINO-DODECANOIC ACID | A | 2DCX | 0.72 | ![]() |
DOA![]() | 12-AMINO-DODECANOIC ACID | B | 1EOL | 0.72 | ![]() |
MNL![]() | 4,N-DIMETHYLNORLEUCINE | C | 1CWC | 0.72 | ![]() |
CHG![]() | CYCLOHEXYL-GLYCINE | 2,3,4 | 8KME | 0.79 | ![]() |
CHG![]() | CYCLOHEXYL-GLYCINE | H,I | 4THN | 0.79 | ![]() |
CHG![]() | CYCLOHEXYL-GLYCINE | H,I,J | 7KME | 0.79 | ![]() |
CHG![]() | CYCLOHEXYL-GLYCINE | H,I | 5GDS | 0.79 | ![]() |
AMH![]() | TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID | A,B | 1CEB | 0.73 | ![]() |
AMH![]() | TRANS-4-AMINOMETHYLCYCLOHEXANE- 1-CARBOXYLIC ACID | A | 1B2I | 0.73 | ![]() |
ZDR![]() | (2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID | A,B,C,D,E,F | 3EKM | 0.81 | ![]() |
ZDR![]() | (2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID | A | 2GKJ | 0.81 | ![]() |
GBN![]() | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID | A,B | 2COJ | 0.71 | ![]() |
GBN![]() | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID | A,B,C | 2EJ3 | 0.71 | ![]() |
GBN![]() | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID | A,B | 2A1H | 0.71 | ![]() |
GBN![]() | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID | A,B | 2COI | 0.71 | ![]() |
AC5![]() | 1-AMINOCYCLOPENTANECARBOXYLIC ACID | A,B | 1Y1M | 0.82 | ![]() |
ZDP![]() | (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID | A,B,C,D,E,F | 3EJX | 0.81 | ![]() |
ZDP![]() | (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID | A | 2GKE | 0.81 | ![]() |
DNN![]() | 7,8-DIAMINO-NONANOIC ACID | A | 1DAH | 0.71 | ![]() |
DNN![]() | 7,8-DIAMINO-NONANOIC ACID | A | 1A82 | 0.71 | ![]() |
LOV![]() | 5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID | A,B | 1OEX | 0.74 | ![]() |
LOV![]() | 5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID | A,B,I | 8HVP | 0.74 | ![]() |
LOV![]() | 5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID | A,B | 1GKT | 0.74 | ![]() |
LOV![]() | 5-AMINO-4-HYDROXY-2-ISOPROPYL-7- METHYL-OCTANOIC ACID | E,I | 2ER7 | 0.74 | ![]() |
ZAL![]() | 3-cyclohexyl-D-alanine | I | 1HBT | 0.81 | ![]() |
AHP![]() | 2-AMINO-HEPTANOIC ACID | D | 1J4X | 0.72 | ![]() |
3PA![]() | 3-CYCLOPENTYL-PROPIONIC ACID | C | 1FAV | 0.72 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D | 1D5Z | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | H,I | 5GDS | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | H,P | 2A2X | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D,H | 2FEQ | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | H,P | 2ANK | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A,C,D | 3DPP | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A | 1EB1 | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D,H | 1NZQ | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | I | 1HBT | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D | 1D6E | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A,B | 1B3H | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D,H | 2FES | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | C,D,E,G,H | 3DPQ | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | I | 1THS | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | I | 1QUR | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A,B,C,D | 3DPO | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | H,I | 4THN | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A,D | 1D5M | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D,H | 1O0D | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1YWH | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | A | 1XRZ | 0.81 | ![]() |
ALC![]() | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID | D | 1D5X | 0.81 | ![]() |
LNG![]() | 12-METHYLTRIDECANOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1W3M | 0.72 | ![]() |
LPL![]() | LEU-HYDROXYETHYLENE-LEU | B,D,F,H | 1SMR | 0.71 | ![]() |
PB1![]() | 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID | A,B | 1PV8 | 0.74 | ![]() |
XCP![]() | (1S,2S)-2-aminocyclopentanecarboxylic acid | A | 3HF0 | 0.71 | ![]() |
XCP![]() | (1S,2S)-2-aminocyclopentanecarboxylic acid | A,B,D,E,F | 3FDM | 0.71 | ![]() |
XCP![]() | (1S,2S)-2-aminocyclopentanecarboxylic acid | A | 3C3H | 0.71 | ![]() |
HHK![]() | (2S)-2,8-DIAMINOOCTANOIC ACID | A | 1XY8 | 0.74 | ![]() |
C5B![]() | (1S,3R)-1-AMINOCYCLOPENTANE-1,3- DICARBOXYLIC ACID | A,B | 2E4X | 0.71 | ![]() |
C5A![]() | (1S,3S)-1-aminocyclopentane-1,3- dicarboxylic acid | A,B | 2E4W | 0.71 | ![]() |