Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178420
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 |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.78 |  |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.74 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.74 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.74 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.72 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.73 | |
| PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.73 | |
| PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.73 | |
| PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.73 | |
| PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.73 | |
| PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.73 | |
| PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.73 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.77 | |
BRN | BERENIL | A,B | 268D | 0.8 | |
| BRN | BERENIL | A,B | 1D63 | 0.8 | |
| BRN | BERENIL | A,D,E | 2GBY | 0.8 | |
| BRN | BERENIL | A | 2DBE | 0.8 | |
| BRN | BERENIL | A | 2GVR | 0.8 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.79 | |
| PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.79 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.81 | |
| ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.81 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 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 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.76 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.82 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.71 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.81 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.81 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.81 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.81 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.79 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.76 | |
| XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.76 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.74 | |