Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03287697
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 |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.75 |  |
| RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.75 | |
| RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.7 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.7 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.7 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.7 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.7 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.7 | |
| PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.7 | |
TNS | A,B,L | 2G2R | 0.71 | | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.73 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.72 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.76 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.75 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.74 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.7 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.7 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.7 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.7 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.7 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.7 | |
| PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.7 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.73 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.73 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.75 | |
486 | 11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE | A | 1NHZ | 0.7 | |
| 486 | 11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE | A,B | 2W8Y | 0.7 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.72 | |
| EDR | EDROPHONIUM ION | A | 2ACK | 0.72 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPV | 0.71 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 2O9I | 0.71 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B,C,D | 1PQC | 0.71 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 1UHL | 0.71 | |
| 444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPW | 0.71 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.73 | |
SH4 | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | H | 1UM4 | 0.73 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.74 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.74 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.73 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.73 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.73 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.73 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.73 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | |
| B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.71 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.77 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.83 | |
| NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.83 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.72 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.7 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.7 | |
| SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.7 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.72 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.72 | |
| BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.72 | |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.76 | |