Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00768362
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 |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.84 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.84 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.82 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.72 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.7 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.73 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.7 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.73 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.78 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.73 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.77 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.76 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.76 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.76 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.81 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.81 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.78 | |
AAH | H | 1KEL | 0.74 | ||
AAH | B,H | 1FL6 | 0.74 | ||
NBE | NITROSOBENZENE | A | 1LH7 | 0.73 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.73 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.74 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.74 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.74 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.74 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.74 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.74 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.74 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.74 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.78 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.78 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.8 |