Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00694957
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 |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.77 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.77 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.77 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.77 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
PNZ | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.72 | |
PNZ | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.72 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.74 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.77 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.72 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.72 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.74 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.77 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.77 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.71 | |
MFG | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE | A,B | 2VZ2 | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
MBN | TOLUENE | A,B | 3D7O | 0.74 | |
MBN | TOLUENE | A,B | 1R1X | 0.74 | |
MBN | TOLUENE | A,B | 1JLX | 0.74 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.74 | |
MBN | TOLUENE | A,B | 2VRL | 0.74 | |
MBN | TOLUENE | A,I | 2Z3E | 0.74 | |
MBN | TOLUENE | A,B | 1YZI | 0.74 | |
MBN | TOLUENE | A,B | 2DN1 | 0.74 | |
MBN | TOLUENE | A,B | 3EN1 | 0.74 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.72 | |
OXE | ORTHO-XYLENE | A | 188L | 0.72 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.74 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.74 | |
PMI | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.72 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.77 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.79 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.79 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.79 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.79 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.79 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.78 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.78 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.78 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.78 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.75 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.75 | |
ABN | BENZYLAMINE | A | 1UTN | 0.75 | |
ABN | BENZYLAMINE | A | 1N6X | 0.75 | |
ABN | BENZYLAMINE | A | 2BZA | 0.75 | |
ABN | BENZYLAMINE | A | 2EUS | 0.75 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.75 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.75 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.74 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.71 | |
PYL | PHENYLETHANE | C | 1B07 | 0.74 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.74 | |
PYL | PHENYLETHANE | A | 1NHB | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.76 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.76 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.72 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.72 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.72 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.7 | |
GB5 | (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2ILP | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.76 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.76 | |
BDB | A,B | 1KE3 | 0.71 | ||
GB4 | (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2IMA | 0.7 | |
23F | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.74 | |
3NT | 3-NITROTOLUENE | A,B | 2BMR | 0.71 | |
3NT | 3-NITROTOLUENE | A,B | 2HMO | 0.71 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.77 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.77 |