Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225805
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 |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.7 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.73 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.81 | |
2T3 | (2R,3R)-4-ANILINO-2,3-DIHYDROXY- 4-OXOBUTANOIC ACID | A | 2P36 | 0.71 | |
347 | TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)- 4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 2PJT | 0.7 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.73 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.73 | |
GNR | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE | A,B | 1S17 | 0.77 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.76 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.75 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.73 | |
AAS | 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE | A | 1CZM | 0.75 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.75 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.74 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.74 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.81 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.81 | |
FOE | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.82 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.85 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
CS1 | S-(2-ANILINYL-SULFANYL)-CYSTEINE | A,B | 2OMA | 0.71 |