Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01072135
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 |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.72 | ![]() |
BHY![]() | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.83 | ![]() |
IZD![]() | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.72 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.77 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.77 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.73 | ![]() |
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 | ![]() |
4MD![]() | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.72 | ![]() |
SKF![]() | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.74 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.78 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.78 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.78 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.78 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | ![]() |
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 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.78 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.8 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.8 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.8 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.8 | ![]() |
QN2![]() | N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N- (4-iodobenzyl)benzenesulfonamide] | A,B | 2QNP | 0.71 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.71 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.71 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.71 | ![]() |
AL5![]() | THIOPHENE-2,5-DISULFONIC ACID 2- AMIDE-5-(4-METHYL-BENZYLAMIDE) | A | 1BN1 | 0.72 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.81 | ![]() |
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 | ![]() |
G0G![]() | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N- BENZYLBENZENESULFONAMIDE) | A,B | 2PQZ | 0.73 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.72 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.72 | ![]() |
FTS![]() | (3R)-3-(FLUOROMETHYL)-N-(3,3,3- TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G71 | 0.73 | ![]() |
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 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D73 | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3D77 | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D78 | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3CZ1 | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3D75 | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3D76 | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3BJH | 0.73 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D74 | 0.73 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.77 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.77 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.77 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.77 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | ![]() |
BDL![]() | N-(biphenyl-4-ylsulfonyl)-D-leucine | A | 3EHX | 0.7 | ![]() |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.71 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.78 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.78 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.7 | ![]() |
F21![]() | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.72 | ![]() |
F21![]() | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.72 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.72 | ![]() |
ZYX![]() | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.81 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.74 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.74 | ![]() |
AM4![]() | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.74 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.74 | ![]() |