Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00170405
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 |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1BZS | 0.73 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1I76 | 0.73 | |
4MD | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.7 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.75 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | |
FD4 | N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3- AMIDINO-L-PHENYLALANINYL)-4-ACETYL- PIPERAZINE | A | 1K1M | 0.73 | |
IN7 | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- ACETIC ACID | A | 1B8Y | 0.71 | |
730 | (S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN- 1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)- 3-OXOPROPYL)BENZIMIDAMIDE | A | 2GV6 | 0.71 | |
G3G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2R43 | 0.76 | |
G3G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2PWC | 0.76 | |
G3G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2R3W | 0.76 | |
FD3 | N-ALPHA-(2-NAPHTHYLSULFONYL)-3- AMIDINO-L-PHENYLALANINE PIPERAZIDE | A | 1K1L | 0.74 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.7 | |
LJH | N,N'-(iminodiethane-2,1-diyl)bis(4- amino-N-benzylbenzenesulfonamide) | A,B | 3BGC | 0.78 | |
QN2 | N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N- (4-iodobenzyl)benzenesulfonamide] | A,B | 2QNP | 0.81 | |
FTS | (3R)-3-(FLUOROMETHYL)-N-(3,3,3- TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G71 | 0.76 | |
SKF | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.77 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.76 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.74 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.74 | |
NFT | N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'- (AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2- TRIFLUOROETHYL}-L-LEUCINAMIDE | A | 1VSN | 0.73 | |
QN1 | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4- (trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide | A,B | 2QNN | 0.7 | |
G0G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N- BENZYLBENZENESULFONAMIDE) | A,B | 2PQZ | 0.84 | |
MID | N==ALPHA==(2-NAPHTHYL-SULFONYL- GLYCYL)-PARA-AMIDINOPHENYL-ALANYL- PIPERIDINE | H | 1DWD | 0.73 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R38 | 0.73 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | A,B | 2PWR | 0.73 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R3T | 0.73 | |
QN3 | N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N- benzyl-2-chlorobenzenesulfonamide) | A,B | 2QNQ | 0.77 |