Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020647
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 |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.7 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.89 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.89 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.89 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.89 | |
U12 | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.78 | |
TNL | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.75 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.72 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.82 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.75 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.75 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.78 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.71 | |
ANL | ANILINE | A | 2OV4 | 0.75 | |
ANL | ANILINE | A | 1AEE | 0.75 | |
ANL | ANILINE | A | 1PPA | 0.75 | |
ANL | ANILINE | A | 1HJ9 | 0.75 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.71 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.71 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | |
U19 | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.78 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.8 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.8 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.8 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.8 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.71 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.71 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.76 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.76 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.76 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.76 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.76 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.76 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.76 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.76 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.77 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.8 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.73 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.73 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.73 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.8 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.76 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.82 |