Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02365934
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 |
ZED![]() | L-PROLINE, 1-[(2S)-3-MERCAPTO-2- METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)- , 4S | A | 2EWB | 0.79 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.74 | ![]() |
TI1![]() | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.74 | ![]() |
OIR![]() | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | ![]() |
KCP![]() | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYL-3,6-DIHYDRO-2H- [1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.72 | ![]() |
OAP![]() | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.72 | ![]() |
RRT![]() | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.73 | ![]() |
THN![]() | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYLENE-5,6-DIHYDRO- 2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.73 | ![]() |
FOE![]() | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.73 | ![]() |
FBD![]() | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)- L-glutamic acid | A | 3D7D | 0.71 | ![]() |
GBI![]() | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.73 | ![]() |
IBG![]() | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.73 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1GHP | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1PWC | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 1FQG | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.71 | ![]() |
PNM![]() | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.71 | ![]() |
TIO![]() | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.73 | ![]() |
PBB![]() | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.71 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | A | 1MMK | 0.7 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | B | 1EOJ | 0.7 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | A | 1KW0 | 0.7 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | A | 1BDK | 0.7 | ![]() |
TYX![]() | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.74 | ![]() |
TST![]() | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.75 | ![]() |
CS3![]() | S-[3-OXO-3-(2-THIENYL)PROPYL]-L- CYSTEINE | A | 2OQW | 0.71 | ![]() |
BCS![]() | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.78 | ![]() |
BCS![]() | BENZYLCYSTEINE | A | 1EH8 | 0.78 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.74 | ![]() |
GSB![]() | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.74 | ![]() |