Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02402531
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 |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.74 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.74 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.74 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.75 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.7 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.7 | ![]() |
TFM![]() | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.72 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.72 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.72 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.71 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.71 | ![]() |
HDB![]() | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.7 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.79 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.71 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.71 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.71 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.75 | ![]() |
CPU![]() | A,B | 1CR6 | 0.72 | ![]() | |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.72 | ![]() |
A21![]() | (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}- 5-methyl-5-(trifluoromethyl)-1,3- thiazol-4(5H)-one | A,B,C,D | 3BZU | 0.78 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.71 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.71 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.7 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.7 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.7 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.79 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.79 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.79 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.72 | ![]() |
352![]() | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}- 5-(1-hydroxy-1-methylethyl)-5-methyl- 1,3-thiazol-4(5H)-one | A,B,C,D | 3EY4 | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | ![]() |