Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01821051
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 |
3HB![]() | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.72 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.72 | ![]() |
4CB![]() | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.8 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.86 | ![]() |
ARL![]() | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.71 | ![]() |
BE7![]() | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFK | 0.78 | ![]() |
BE7![]() | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFQ | 0.78 | ![]() |
BE7![]() | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1Z9Y | 0.78 | ![]() |
BE7![]() | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZH9 | 0.78 | ![]() |
BE7![]() | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGE | 0.78 | ![]() |
BE7![]() | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGF | 0.78 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.75 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.77 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.77 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.77 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.77 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.73 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.72 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | X | 2O48 | 0.72 | ![]() |
ANQ![]() | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.7 | ![]() |
4FC![]() | A | 1YSG | 0.72 | ![]() | |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.72 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | ![]() |
3BZ![]() | 3-chlorobenzoate | X | 2QVZ | 0.71 | ![]() |
3BZ![]() | 3-chlorobenzoate | X | 2QVX | 0.71 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.71 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.71 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.8 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.8 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.77 | ![]() |
26C![]() | A,B | 2F7I | 0.72 | ![]() | |
B3I![]() | 2,3,5-TRIIODOBENZOIC ACID | A | 1BKE | 0.73 | ![]() |