Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009040
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 |
GZZ | N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE | A,B,C | 1H82 | 0.76 | |
GC7 | 1-GUANIDINIUM-7-AMINOHEPTANE | A,B | 1RQD | 0.71 | |
AG2 | AGMATINE | B,D,F,H,J,L | 1N13 | 1 | |
AG2 | AGMATINE | A,B,C,D,E,F, H,I,J,K,L | 2QQC | 1 | |
AG2 | AGMATINE | A,B,C,D,E | 2QQD | 1 | |
AG2 | AGMATINE | A,B,C,D,F,G, H,J,K,L | 1MT1 | 1 | |
PG3 | GUANIDINE-3-PROPANOL | A | 2A32 | 0.71 | |
PG3 | GUANIDINE-3-PROPANOL | A | 1S5S | 0.71 | |
PG3 | GUANIDINE-3-PROPANOL | A | 2A31 | 0.71 | |
IHG | N-ISOPROPYL-N'-HYDROXYGUANIDINE | A,B | 1LZZ | 0.74 | |
BHH | N-BUTYL-N'-HYDROXYGUANIDINE | A,B | 1M00 | 0.84 | |
ALG | GUANIDINOBUTYRYL GROUP | I,P | 1HDT | 0.72 | |
EGD | N-ETHYLGUANIDINE | A | 2F32 | 0.82 | |
AHI | 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN- 1-AMINIUM | A,B,C | 1T4R | 0.81 | |
SBP | [3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE | A | 1S6F | 0.71 | |
BOR | (1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID | A,B,C,D | 1OT5 | 0.91 | |
BOR | (1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID | A,B,C,D | 1R64 | 0.91 | |
AG3 | 1-{4-[(3-aminopropyl)amino]butyl}guanidine | A,C,E | 2ZSU | 0.89 | |
AG3 | 1-{4-[(3-aminopropyl)amino]butyl}guanidine | A,B,C,D | 2E5W | 0.89 |