Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03371061
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 |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.73 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.78 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.78 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.71 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.75 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.7 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | |
GVQ | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.75 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.74 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.81 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.81 | |
ABN | BENZYLAMINE | A | 1UTN | 0.81 | |
ABN | BENZYLAMINE | A | 1N6X | 0.81 | |
ABN | BENZYLAMINE | A | 2BZA | 0.81 | |
ABN | BENZYLAMINE | A | 2EUS | 0.81 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.81 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.81 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.78 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.7 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.7 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.76 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.75 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.75 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.7 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.91 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.84 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.84 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.78 | |
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 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.78 | |
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 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.76 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.7 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.7 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.79 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.79 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.77 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.77 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.72 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.72 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.73 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.73 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.73 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.73 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.7 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.7 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.7 |