Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002840
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 |
PPN | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.71 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.71 | |
NPA | 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID | H | 1NGP | 0.72 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.83 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.71 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.76 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.76 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.76 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.75 | |
HAB | A,B | 1SRE | 0.7 | ||
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.8 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.8 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.8 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.8 | |
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 | 0.76 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.79 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.79 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.79 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.78 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.74 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.74 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.73 | |
IBR | A | 9EST | 0.74 | ||
MHB | A,B | 1SRG | 0.7 | ||
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 |