Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01033814
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 |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.83 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.83 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.83 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.83 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.74 | |
UBE | 3-({3-[(2S)-2-amino-2-carboxyethyl]- 5-methyl-2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)-5-phenylthiophene- 2-carboxylic acid | A,B | 2QS3 | 0.73 | |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.79 | |
TIH | BETA(2-THIENYL)ALANINE | A | 1MMK | 0.71 | |
TIH | BETA(2-THIENYL)ALANINE | B | 1EOJ | 0.71 | |
TIH | BETA(2-THIENYL)ALANINE | A | 1KW0 | 0.71 | |
TIH | BETA(2-THIENYL)ALANINE | A | 1BDK | 0.71 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
NN3 | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.7 | |
C21 | THIOPHENE-2-CARBOXYLIC ACID | A,B | 2HDQ | 0.71 | |
KST | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QA3 | 0.78 | |
KST | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2Q7W | 0.78 | |
KST | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QBT | 0.78 | |
KST | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QB3 | 0.78 | |
KST | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QB2 | 0.78 | |
KCP | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYL-3,6-DIHYDRO-2H- [1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.71 | |
UBF | 3-({3-[(2S)-2-amino-2-carboxyethyl]- 5-bromo-2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)thiophene-2-carboxylic acid | A,B | 2QS2 | 0.7 | |
CS3 | S-[3-OXO-3-(2-THIENYL)PROPYL]-L- CYSTEINE | A | 2OQW | 0.71 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.72 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.72 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.72 | |
IPC | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.71 | |
UBA | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3(2-CARBOXYTHIOPHENE-3-YL-METHYL)- 5-METHYLPYRIMIDINE-2,4-DIONE | A,B | 2F34 | 0.72 | |
UBA | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3(2-CARBOXYTHIOPHENE-3-YL-METHYL)- 5-METHYLPYRIMIDINE-2,4-DIONE | A,B | 2OJT | 0.72 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.76 |