Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458750
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 |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.78 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.78 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.71 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.73 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.76 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.76 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.75 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.74 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.74 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.7 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.7 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.72 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.72 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.72 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.75 | |
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 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.74 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.71 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.71 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.79 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.79 | |
ABN | BENZYLAMINE | A | 1UTN | 0.79 | |
ABN | BENZYLAMINE | A | 1N6X | 0.79 | |
ABN | BENZYLAMINE | A | 2BZA | 0.79 | |
ABN | BENZYLAMINE | A | 2EUS | 0.79 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.79 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.79 | |
4CM | (4-CARBAMIMIDOYLPHENYL)-METHYL- PHOSPHINIC ACID | A | 1TX7 | 0.77 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.76 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.76 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.82 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.82 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.82 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.82 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.82 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.82 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.85 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.85 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.85 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.83 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.72 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.76 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.72 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.72 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.72 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.72 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.72 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.71 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.74 | |
PMI | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.74 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.77 | |
DPK | DEPRENYL | A,B | 2BYB | 0.7 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.74 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.74 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.74 |