Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03376553
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 |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.76 | |
2CM | 2-CHLORO-6-METHYL-ANILINE | A | 1OVH | 0.77 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.72 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.74 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.86 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.9 | |
GVQ | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.91 | |
SKA | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 1YZ3 | 0.77 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.88 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.73 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.73 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.76 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.76 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.74 | |
4MD | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.74 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.81 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.81 | |
LY1 | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO- 1H-BENZO[C]AZEPINE | A,B | 1N7I | 0.78 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.72 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.74 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.75 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.75 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.75 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.75 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.76 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.75 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.78 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.78 | |
ABN | BENZYLAMINE | A | 1UTN | 0.78 | |
ABN | BENZYLAMINE | A | 1N6X | 0.78 | |
ABN | BENZYLAMINE | A | 2BZA | 0.78 | |
ABN | BENZYLAMINE | A | 2EUS | 0.78 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.78 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.78 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.76 | |
WW7 | N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE | A | 1MUX | 0.71 | |
SRE | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.78 |