Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003078
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 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.72 | |
23F | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.71 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.71 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.77 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.71 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.7 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.77 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.77 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.74 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.74 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.74 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.74 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.79 | |
NTD | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE | A,B | 1T47 | 0.71 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.78 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.71 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.74 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.77 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.77 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.77 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.73 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.73 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.73 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.73 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.73 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.73 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.73 | |
AAH | H | 1KEL | 0.72 | ||
AAH | B,H | 1FL6 | 0.72 |