Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02236437
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 |
V36![]() | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.71 | ![]() |
CPU![]() | A,B | 1CR6 | 0.73 | ![]() | |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.73 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | ![]() |
ZYX![]() | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.75 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.7 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.7 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.7 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.7 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.7 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.78 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.79 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.79 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.79 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.79 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | ![]() |
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 | ![]() |
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 | ![]() |
MN2![]() | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.71 | ![]() |
R1F![]() | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.71 | ![]() |
RRT![]() | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.73 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.71 | ![]() |
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 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.74 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.74 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.71 | ![]() |
IDI![]() | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.7 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.77 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.77 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.77 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.77 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B | 1PNM | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1S2N | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H18 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H17 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2CBG | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1SUP | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1V6C | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WPR | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1AUR | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1KLT | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2GKO | 0.72 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.72 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.74 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.74 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.74 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.74 | ![]() |
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 | ![]() |
TIO![]() | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.73 | ![]() |
BHY![]() | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.74 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.75 | ![]() |
GG3![]() | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.7 | ![]() |
GG3![]() | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.7 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.71 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.74 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.76 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.76 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.81 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.81 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.81 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.81 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.81 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.71 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.79 | ![]() |
4FP![]() | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.78 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.71 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.74 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.74 | ![]() |
SKF![]() | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.71 | ![]() |
BSA![]() | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.72 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.74 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.74 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.7 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.7 | ![]() |
SEH![]() | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.71 | ![]() |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.71 | ![]() |
APE![]() | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.74 | ![]() |